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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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/100bpRNA-2a6edac6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/100bpRNA-2a6edac6/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 200 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: 1005 n_atoms_counter: 1005 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 200.000000 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: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -815.129524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.129524 (E_RNA) where: Base-Base interactions energy: -36.682 where: short stacking energy: -36.682 Base-Backbone interact. energy: -0.000 local terms energy: -778.447838 where: bonds (distance) C4'-P energy: -194.316 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -167.975 tors. eta vs tors. theta energy: -89.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1000.227563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.227563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.227563 (E_RNA) where: Base-Base interactions energy: -420.647 where: short stacking energy: -418.102 Base-Backbone interact. energy: -0.113 local terms energy: -579.468175 where: bonds (distance) C4'-P energy: -140.820 bonds (distance) P-C4' energy: -128.287 flat angles C4'-P-C4' energy: -121.620 flat angles P-C4'-P energy: -83.454 tors. eta vs tors. theta energy: -105.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -919.834644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.834644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.834644 (E_RNA) where: Base-Base interactions energy: -391.466 where: short stacking energy: -375.470 Base-Backbone interact. energy: 0.848 local terms energy: -529.216672 where: bonds (distance) C4'-P energy: -115.803 bonds (distance) P-C4' energy: -131.396 flat angles C4'-P-C4' energy: -124.220 flat angles P-C4'-P energy: -90.332 tors. eta vs tors. theta energy: -67.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -866.716522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.716522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.716522 (E_RNA) where: Base-Base interactions energy: -354.950 where: short stacking energy: -354.391 Base-Backbone interact. energy: -0.136 local terms energy: -511.630269 where: bonds (distance) C4'-P energy: -123.317 bonds (distance) P-C4' energy: -112.820 flat angles C4'-P-C4' energy: -124.639 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -72.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -821.173392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.173392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.173392 (E_RNA) where: Base-Base interactions energy: -282.715 where: short stacking energy: -282.715 Base-Backbone interact. energy: -0.004 local terms energy: -538.454485 where: bonds (distance) C4'-P energy: -114.633 bonds (distance) P-C4' energy: -120.664 flat angles C4'-P-C4' energy: -120.299 flat angles P-C4'-P energy: -104.093 tors. eta vs tors. theta energy: -78.766 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -817.303183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.303183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.303183 (E_RNA) where: Base-Base interactions energy: -44.025 where: short stacking energy: -44.025 Base-Backbone interact. energy: -0.000 local terms energy: -773.277540 where: bonds (distance) C4'-P energy: -192.241 bonds (distance) P-C4' energy: -175.945 flat angles C4'-P-C4' energy: -146.520 flat angles P-C4'-P energy: -167.398 tors. eta vs tors. theta energy: -91.174 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: 2 Temperature: 1.150000 Total energy: -821.933067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.933067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.933067 (E_RNA) where: Base-Base interactions energy: -144.049 where: short stacking energy: -144.049 Base-Backbone interact. energy: -0.000 local terms energy: -677.884022 where: bonds (distance) C4'-P energy: -142.085 bonds (distance) P-C4' energy: -140.578 flat angles C4'-P-C4' energy: -148.671 flat angles P-C4'-P energy: -147.884 tors. eta vs tors. theta energy: -98.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -821.869333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.869333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.869333 (E_RNA) where: Base-Base interactions energy: -144.980 where: short stacking energy: -144.980 Base-Backbone interact. energy: -0.000 local terms energy: -676.889065 where: bonds (distance) C4'-P energy: -151.022 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -142.010 flat angles P-C4'-P energy: -148.175 tors. eta vs tors. theta energy: -94.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -826.055890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.055890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.055890 (E_RNA) where: Base-Base interactions energy: -124.860 where: short stacking energy: -124.860 Base-Backbone interact. energy: -0.000 local terms energy: -701.195137 where: bonds (distance) C4'-P energy: -157.796 bonds (distance) P-C4' energy: -143.432 flat angles C4'-P-C4' energy: -146.407 flat angles P-C4'-P energy: -155.849 tors. eta vs tors. theta energy: -97.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -825.248799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.248799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.248799 (E_RNA) where: Base-Base interactions energy: -57.728 where: short stacking energy: -57.728 Base-Backbone interact. energy: -0.000 local terms energy: -767.520139 where: bonds (distance) C4'-P energy: -190.524 bonds (distance) P-C4' energy: -174.035 flat angles C4'-P-C4' energy: -146.362 flat angles P-C4'-P energy: -165.735 tors. eta vs tors. theta energy: -90.864 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -815.620580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.620580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.620580 (E_RNA) where: Base-Base interactions energy: -40.275 where: short stacking energy: -40.275 Base-Backbone interact. energy: -0.000 local terms energy: -775.345300 where: bonds (distance) C4'-P energy: -193.736 bonds (distance) P-C4' energy: -177.547 flat angles C4'-P-C4' energy: -146.076 flat angles P-C4'-P energy: -167.403 tors. eta vs tors. theta energy: -90.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1027.100345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.100345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.100345 (E_RNA) where: Base-Base interactions energy: -457.070 where: short stacking energy: -423.887 Base-Backbone interact. energy: -0.574 local terms energy: -569.456214 where: bonds (distance) C4'-P energy: -117.954 bonds (distance) P-C4' energy: -134.670 flat angles C4'-P-C4' energy: -130.395 flat angles P-C4'-P energy: -75.420 tors. eta vs tors. theta energy: -111.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -949.133351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.133351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.133351 (E_RNA) where: Base-Base interactions energy: -421.579 where: short stacking energy: -407.134 Base-Backbone interact. energy: 0.606 local terms energy: -528.160286 where: bonds (distance) C4'-P energy: -115.471 bonds (distance) P-C4' energy: -126.964 flat angles C4'-P-C4' energy: -126.736 flat angles P-C4'-P energy: -71.529 tors. eta vs tors. theta energy: -87.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -917.954284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.954284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.954284 (E_RNA) where: Base-Base interactions energy: -383.427 where: short stacking energy: -380.563 Base-Backbone interact. energy: -0.606 local terms energy: -533.920980 where: bonds (distance) C4'-P energy: -108.894 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -121.212 flat angles P-C4'-P energy: -86.999 tors. eta vs tors. theta energy: -79.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -834.043684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.043684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.043684 (E_RNA) where: Base-Base interactions energy: -339.258 where: short stacking energy: -322.772 Base-Backbone interact. energy: -0.705 local terms energy: -494.080817 where: bonds (distance) C4'-P energy: -119.101 bonds (distance) P-C4' energy: -116.708 flat angles C4'-P-C4' energy: -121.166 flat angles P-C4'-P energy: -79.008 tors. eta vs tors. theta energy: -58.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -768.402499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.402499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.402499 (E_RNA) where: Base-Base interactions energy: -298.099 where: short stacking energy: -285.785 Base-Backbone interact. energy: 0.151 local terms energy: -470.454965 where: bonds (distance) C4'-P energy: -114.467 bonds (distance) P-C4' energy: -128.233 flat angles C4'-P-C4' energy: -102.137 flat angles P-C4'-P energy: -71.677 tors. eta vs tors. theta energy: -53.940 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -762.292929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.292929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.292929 (E_RNA) where: Base-Base interactions energy: -371.960 where: short stacking energy: -226.814 Base-Backbone interact. energy: -2.443 local terms energy: -387.889603 where: bonds (distance) C4'-P energy: -107.174 bonds (distance) P-C4' energy: -113.801 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -68.208 tors. eta vs tors. theta energy: -9.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -631.797247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.797247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.797247 (E_RNA) where: Base-Base interactions energy: -227.715 where: short stacking energy: -203.100 Base-Backbone interact. energy: 0.047 local terms energy: -404.129545 where: bonds (distance) C4'-P energy: -108.002 bonds (distance) P-C4' energy: -114.791 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -63.624 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -591.594566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.594566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.594566 (E_RNA) where: Base-Base interactions energy: -212.416 where: short stacking energy: -203.490 Base-Backbone interact. energy: 3.833 local terms energy: -383.011935 where: bonds (distance) C4'-P energy: -105.271 bonds (distance) P-C4' energy: -103.449 flat angles C4'-P-C4' energy: -92.703 flat angles P-C4'-P energy: -57.181 tors. eta vs tors. theta energy: -24.408 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: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -567.700408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.700408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.700408 (E_RNA) where: Base-Base interactions energy: -211.125 where: short stacking energy: -194.513 Base-Backbone interact. energy: 1.784 local terms energy: -358.358825 where: bonds (distance) C4'-P energy: -110.383 bonds (distance) P-C4' energy: -101.430 flat angles C4'-P-C4' energy: -94.239 flat angles P-C4'-P energy: -36.923 tors. eta vs tors. theta energy: -15.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -628.409437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.409437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.409437 (E_RNA) where: Base-Base interactions energy: -276.833 where: short stacking energy: -169.342 Base-Backbone interact. energy: 1.895 local terms energy: -353.471095 where: bonds (distance) C4'-P energy: -87.712 bonds (distance) P-C4' energy: -96.983 flat angles C4'-P-C4' energy: -95.658 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1063.552102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.552102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.552102 (E_RNA) where: Base-Base interactions energy: -481.606 where: short stacking energy: -475.994 Base-Backbone interact. energy: -0.506 local terms energy: -581.440005 where: bonds (distance) C4'-P energy: -126.027 bonds (distance) P-C4' energy: -124.220 flat angles C4'-P-C4' energy: -126.058 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -128.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -979.466518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.466518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.466518 (E_RNA) where: Base-Base interactions energy: -450.809 where: short stacking energy: -377.164 Base-Backbone interact. energy: 1.711 local terms energy: -530.368499 where: bonds (distance) C4'-P energy: -124.836 bonds (distance) P-C4' energy: -122.641 flat angles C4'-P-C4' energy: -113.676 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -83.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -936.019492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.019492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.019492 (E_RNA) where: Base-Base interactions energy: -405.802 where: short stacking energy: -354.049 Base-Backbone interact. energy: 2.787 local terms energy: -533.004308 where: bonds (distance) C4'-P energy: -125.324 bonds (distance) P-C4' energy: -124.136 flat angles C4'-P-C4' energy: -128.826 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -68.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -836.042127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.042127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.042127 (E_RNA) where: Base-Base interactions energy: -356.676 where: short stacking energy: -323.846 Base-Backbone interact. energy: 0.279 local terms energy: -479.645189 where: bonds (distance) C4'-P energy: -114.034 bonds (distance) P-C4' energy: -126.199 flat angles C4'-P-C4' energy: -113.667 flat angles P-C4'-P energy: -66.368 tors. eta vs tors. theta energy: -59.378 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: 4 Temperature: 1.100000 Total energy: -1004.019583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.019583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.019583 (E_RNA) where: Base-Base interactions energy: -511.716 where: short stacking energy: -336.390 Base-Backbone interact. energy: 1.954 local terms energy: -494.257180 where: bonds (distance) C4'-P energy: -119.361 bonds (distance) P-C4' energy: -132.016 flat angles C4'-P-C4' energy: -113.999 flat angles P-C4'-P energy: -65.902 tors. eta vs tors. theta energy: -62.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -788.385845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.385845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.385845 (E_RNA) where: Base-Base interactions energy: -341.982 where: short stacking energy: -269.890 Base-Backbone interact. energy: 0.247 local terms energy: -446.651263 where: bonds (distance) C4'-P energy: -119.928 bonds (distance) P-C4' energy: -113.572 flat angles C4'-P-C4' energy: -83.495 flat angles P-C4'-P energy: -82.625 tors. eta vs tors. theta energy: -47.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -596.990281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.990281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.990281 (E_RNA) where: Base-Base interactions energy: -228.751 where: short stacking energy: -205.513 Base-Backbone interact. energy: -0.726 local terms energy: -367.513524 where: bonds (distance) C4'-P energy: -92.419 bonds (distance) P-C4' energy: -106.329 flat angles C4'-P-C4' energy: -86.370 flat angles P-C4'-P energy: -70.321 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -575.087859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.087859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.087859 (E_RNA) where: Base-Base interactions energy: -213.636 where: short stacking energy: -183.131 Base-Backbone interact. energy: -3.171 local terms energy: -358.281332 where: bonds (distance) C4'-P energy: -97.949 bonds (distance) P-C4' energy: -106.301 flat angles C4'-P-C4' energy: -96.038 flat angles P-C4'-P energy: -61.802 tors. eta vs tors. theta energy: 3.810 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -674.070008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.070008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.070008 (E_RNA) where: Base-Base interactions energy: -318.350 where: short stacking energy: -214.293 Base-Backbone interact. energy: -2.901 local terms energy: -352.818706 where: bonds (distance) C4'-P energy: -109.186 bonds (distance) P-C4' energy: -113.498 flat angles C4'-P-C4' energy: -87.779 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: 5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -548.090507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.090507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.090507 (E_RNA) where: Base-Base interactions energy: -208.277 where: short stacking energy: -172.007 Base-Backbone interact. energy: 0.416 local terms energy: -340.229546 where: bonds (distance) C4'-P energy: -104.064 bonds (distance) P-C4' energy: -112.780 flat angles C4'-P-C4' energy: -90.285 flat angles P-C4'-P energy: -36.729 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1061.304829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.304829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.304829 (E_RNA) where: Base-Base interactions energy: -466.224 where: short stacking energy: -453.798 Base-Backbone interact. energy: -0.752 local terms energy: -594.328988 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -130.731 flat angles C4'-P-C4' energy: -123.227 flat angles P-C4'-P energy: -100.476 tors. eta vs tors. theta energy: -113.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -962.362082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.362082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.362082 (E_RNA) where: Base-Base interactions energy: -435.268 where: short stacking energy: -381.375 Base-Backbone interact. energy: -2.368 local terms energy: -524.725991 where: bonds (distance) C4'-P energy: -124.595 bonds (distance) P-C4' energy: -126.283 flat angles C4'-P-C4' energy: -120.130 flat angles P-C4'-P energy: -69.819 tors. eta vs tors. theta energy: -83.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -966.698699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.698699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.698699 (E_RNA) where: Base-Base interactions energy: -438.946 where: short stacking energy: -391.219 Base-Backbone interact. energy: -1.148 local terms energy: -526.604957 where: bonds (distance) C4'-P energy: -105.591 bonds (distance) P-C4' energy: -118.305 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -81.645 tors. eta vs tors. theta energy: -99.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1260.918727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.918727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.918727 (E_RNA) where: Base-Base interactions energy: -791.940 where: short stacking energy: -386.380 Base-Backbone interact. energy: 2.035 local terms energy: -471.014266 where: bonds (distance) C4'-P energy: -115.011 bonds (distance) P-C4' energy: -109.116 flat angles C4'-P-C4' energy: -120.088 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -73.322 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -754.942434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.942434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.942434 (E_RNA) where: Base-Base interactions energy: -308.297 where: short stacking energy: -264.022 Base-Backbone interact. energy: -0.344 local terms energy: -446.302219 where: bonds (distance) C4'-P energy: -104.891 bonds (distance) P-C4' energy: -131.605 flat angles C4'-P-C4' energy: -102.402 flat angles P-C4'-P energy: -58.934 tors. eta vs tors. theta energy: -48.471 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: 4 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -804.658299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.658299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.658299 (E_RNA) where: Base-Base interactions energy: -372.281 where: short stacking energy: -252.872 Base-Backbone interact. energy: -3.319 local terms energy: -429.058647 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -115.779 flat angles C4'-P-C4' energy: -107.776 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -26.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -688.115357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.115357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.115357 (E_RNA) where: Base-Base interactions energy: -301.729 where: short stacking energy: -237.179 Base-Backbone interact. energy: -1.490 local terms energy: -384.896722 where: bonds (distance) C4'-P energy: -94.213 bonds (distance) P-C4' energy: -113.866 flat angles C4'-P-C4' energy: -90.937 flat angles P-C4'-P energy: -61.632 tors. eta vs tors. theta energy: -24.248 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -785.315078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.315078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.315078 (E_RNA) where: Base-Base interactions energy: -428.612 where: short stacking energy: -226.479 Base-Backbone interact. energy: 5.406 local terms energy: -362.108867 where: bonds (distance) C4'-P energy: -106.942 bonds (distance) P-C4' energy: -94.574 flat angles C4'-P-C4' energy: -99.224 flat angles P-C4'-P energy: -50.625 tors. eta vs tors. theta energy: -10.743 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: 5 Temperature: 1.300000 Total energy: -556.040049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.040049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.040049 (E_RNA) where: Base-Base interactions energy: -223.553 where: short stacking energy: -174.073 Base-Backbone interact. energy: 0.396 local terms energy: -332.883009 where: bonds (distance) C4'-P energy: -100.271 bonds (distance) P-C4' energy: -114.855 flat angles C4'-P-C4' energy: -83.036 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: 7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -495.670283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.670283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.670283 (E_RNA) where: Base-Base interactions energy: -184.750 where: short stacking energy: -162.385 Base-Backbone interact. energy: -0.171 local terms energy: -310.749816 where: bonds (distance) C4'-P energy: -86.947 bonds (distance) P-C4' energy: -101.240 flat angles C4'-P-C4' energy: -79.796 flat angles P-C4'-P energy: -52.438 tors. eta vs tors. theta energy: 9.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1154.162141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.162141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.162141 (E_RNA) where: Base-Base interactions energy: -537.146 where: short stacking energy: -462.689 Base-Backbone interact. energy: 0.109 local terms energy: -617.124545 where: bonds (distance) C4'-P energy: -130.968 bonds (distance) P-C4' energy: -129.892 flat angles C4'-P-C4' energy: -141.969 flat angles P-C4'-P energy: -87.579 tors. eta vs tors. theta energy: -126.716 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1118.732037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.732037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.732037 (E_RNA) where: Base-Base interactions energy: -594.260 where: short stacking energy: -376.278 Base-Backbone interact. energy: -3.244 local terms energy: -521.228161 where: bonds (distance) C4'-P energy: -110.459 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -129.675 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -91.794 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: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1465.314867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.314867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.314867 (E_RNA) where: Base-Base interactions energy: -911.787 where: short stacking energy: -441.087 Base-Backbone interact. energy: 0.910 local terms energy: -554.438111 where: bonds (distance) C4'-P energy: -108.962 bonds (distance) P-C4' energy: -124.406 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -98.448 tors. eta vs tors. theta energy: -98.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1053.531522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.531522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.531522 (E_RNA) where: Base-Base interactions energy: -563.691 where: short stacking energy: -354.618 Base-Backbone interact. energy: -1.241 local terms energy: -488.599571 where: bonds (distance) C4'-P energy: -112.931 bonds (distance) P-C4' energy: -118.559 flat angles C4'-P-C4' energy: -109.803 flat angles P-C4'-P energy: -74.085 tors. eta vs tors. theta energy: -73.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -863.243387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.243387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.243387 (E_RNA) where: Base-Base interactions energy: -423.077 where: short stacking energy: -269.567 Base-Backbone interact. energy: -2.376 local terms energy: -437.790128 where: bonds (distance) C4'-P energy: -122.634 bonds (distance) P-C4' energy: -109.112 flat angles C4'-P-C4' energy: -107.988 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -33.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -809.081482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.081482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.081482 (E_RNA) where: Base-Base interactions energy: -365.850 where: short stacking energy: -247.826 Base-Backbone interact. energy: -1.545 local terms energy: -441.686882 where: bonds (distance) C4'-P energy: -116.003 bonds (distance) P-C4' energy: -119.569 flat angles C4'-P-C4' energy: -96.853 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -43.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1077.837045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.837045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.837045 (E_RNA) where: Base-Base interactions energy: -656.333 where: short stacking energy: -324.994 Base-Backbone interact. energy: 0.658 local terms energy: -422.162351 where: bonds (distance) C4'-P energy: -100.357 bonds (distance) P-C4' energy: -106.285 flat angles C4'-P-C4' energy: -95.780 flat angles P-C4'-P energy: -66.872 tors. eta vs tors. theta energy: -52.868 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: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -761.914477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.914477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.914477 (E_RNA) where: Base-Base interactions energy: -396.882 where: short stacking energy: -229.283 Base-Backbone interact. energy: -0.543 local terms energy: -364.489300 where: bonds (distance) C4'-P energy: -99.703 bonds (distance) P-C4' energy: -90.527 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -73.157 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -711.835934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.835934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.835934 (E_RNA) where: Base-Base interactions energy: -327.389 where: short stacking energy: -179.019 Base-Backbone interact. energy: -0.426 local terms energy: -384.021423 where: bonds (distance) C4'-P energy: -117.647 bonds (distance) P-C4' energy: -113.369 flat angles C4'-P-C4' energy: -83.605 flat angles P-C4'-P energy: -64.388 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -514.191118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.191118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.191118 (E_RNA) where: Base-Base interactions energy: -220.252 where: short stacking energy: -161.299 Base-Backbone interact. energy: -1.352 local terms energy: -292.587116 where: bonds (distance) C4'-P energy: -96.816 bonds (distance) P-C4' energy: -92.826 flat angles C4'-P-C4' energy: -81.358 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: 25.715 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1215.880266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.880266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.880266 (E_RNA) where: Base-Base interactions energy: -641.805 where: short stacking energy: -481.858 Base-Backbone interact. energy: -1.284 local terms energy: -572.791783 where: bonds (distance) C4'-P energy: -116.635 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -122.870 flat angles P-C4'-P energy: -84.537 tors. eta vs tors. theta energy: -133.546 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: 7 Temperature: 0.950000 Total energy: -1550.251384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.251384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.251384 (E_RNA) where: Base-Base interactions energy: -990.123 where: short stacking energy: -503.021 Base-Backbone interact. energy: -1.686 local terms energy: -558.442647 where: bonds (distance) C4'-P energy: -130.808 bonds (distance) P-C4' energy: -113.789 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -76.852 tors. eta vs tors. theta energy: -107.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1101.749403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.749403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.749403 (E_RNA) where: Base-Base interactions energy: -571.620 where: short stacking energy: -325.940 Base-Backbone interact. energy: -1.461 local terms energy: -528.669013 where: bonds (distance) C4'-P energy: -116.583 bonds (distance) P-C4' energy: -119.589 flat angles C4'-P-C4' energy: -135.909 flat angles P-C4'-P energy: -92.258 tors. eta vs tors. theta energy: -64.331 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: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1091.427796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.427796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.427796 (E_RNA) where: Base-Base interactions energy: -612.884 where: short stacking energy: -351.495 Base-Backbone interact. energy: -1.571 local terms energy: -476.972939 where: bonds (distance) C4'-P energy: -111.252 bonds (distance) P-C4' energy: -129.957 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -67.207 tors. eta vs tors. theta energy: -68.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -921.297475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.297475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.297475 (E_RNA) where: Base-Base interactions energy: -468.046 where: short stacking energy: -303.760 Base-Backbone interact. energy: -0.546 local terms energy: -452.705016 where: bonds (distance) C4'-P energy: -105.473 bonds (distance) P-C4' energy: -114.617 flat angles C4'-P-C4' energy: -117.324 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -27.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1241.914632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.914632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.914632 (E_RNA) where: Base-Base interactions energy: -806.430 where: short stacking energy: -388.885 Base-Backbone interact. energy: 4.153 local terms energy: -439.638156 where: bonds (distance) C4'-P energy: -93.167 bonds (distance) P-C4' energy: -119.672 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -60.510 tors. eta vs tors. theta energy: -62.007 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: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -777.373282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.373282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.373282 (E_RNA) where: Base-Base interactions energy: -385.038 where: short stacking energy: -262.902 Base-Backbone interact. energy: -0.166 local terms energy: -392.169152 where: bonds (distance) C4'-P energy: -90.769 bonds (distance) P-C4' energy: -116.514 flat angles C4'-P-C4' energy: -98.034 flat angles P-C4'-P energy: -62.225 tors. eta vs tors. theta energy: -24.626 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: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -786.500619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.500619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.500619 (E_RNA) where: Base-Base interactions energy: -417.218 where: short stacking energy: -245.890 Base-Backbone interact. energy: 1.525 local terms energy: -370.807460 where: bonds (distance) C4'-P energy: -94.222 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -99.090 flat angles P-C4'-P energy: -54.598 tors. eta vs tors. theta energy: -10.944 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: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -681.187989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.187989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.187989 (E_RNA) where: Base-Base interactions energy: -352.570 where: short stacking energy: -198.937 Base-Backbone interact. energy: -2.868 local terms energy: -325.750162 where: bonds (distance) C4'-P energy: -101.736 bonds (distance) P-C4' energy: -92.449 flat angles C4'-P-C4' energy: -76.129 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -16.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -552.332156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.332156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.332156 (E_RNA) where: Base-Base interactions energy: -239.563 where: short stacking energy: -171.400 Base-Backbone interact. energy: 0.745 local terms energy: -313.514021 where: bonds (distance) C4'-P energy: -96.100 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -78.080 flat angles P-C4'-P energy: -49.045 tors. eta vs tors. theta energy: 7.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1705.390409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.390409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.390409 (E_RNA) where: Base-Base interactions energy: -1092.605 where: short stacking energy: -553.768 Base-Backbone interact. energy: -2.754 local terms energy: -610.031230 where: bonds (distance) C4'-P energy: -121.898 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -131.113 flat angles P-C4'-P energy: -89.603 tors. eta vs tors. theta energy: -127.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1171.322433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.322433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.322433 (E_RNA) where: Base-Base interactions energy: -618.979 where: short stacking energy: -417.365 Base-Backbone interact. energy: -0.576 local terms energy: -551.768174 where: bonds (distance) C4'-P energy: -127.323 bonds (distance) P-C4' energy: -118.832 flat angles C4'-P-C4' energy: -130.699 flat angles P-C4'-P energy: -73.809 tors. eta vs tors. theta energy: -101.105 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: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1212.170224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.170224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.170224 (E_RNA) where: Base-Base interactions energy: -686.607 where: short stacking energy: -371.261 Base-Backbone interact. energy: 4.207 local terms energy: -529.770166 where: bonds (distance) C4'-P energy: -135.027 bonds (distance) P-C4' energy: -113.885 flat angles C4'-P-C4' energy: -117.916 flat angles P-C4'-P energy: -90.943 tors. eta vs tors. theta energy: -71.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1154.672571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.672571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.672571 (E_RNA) where: Base-Base interactions energy: -660.743 where: short stacking energy: -373.222 Base-Backbone interact. energy: 6.016 local terms energy: -499.945938 where: bonds (distance) C4'-P energy: -109.881 bonds (distance) P-C4' energy: -128.128 flat angles C4'-P-C4' energy: -124.478 flat angles P-C4'-P energy: -72.726 tors. eta vs tors. theta energy: -64.732 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: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1365.157245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.157245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.157245 (E_RNA) where: Base-Base interactions energy: -854.625 where: short stacking energy: -424.833 Base-Backbone interact. energy: 3.150 local terms energy: -513.682036 where: bonds (distance) C4'-P energy: -113.567 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -123.661 flat angles P-C4'-P energy: -67.975 tors. eta vs tors. theta energy: -93.655 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: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1057.730818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.730818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.730818 (E_RNA) where: Base-Base interactions energy: -575.915 where: short stacking energy: -316.230 Base-Backbone interact. energy: -0.821 local terms energy: -480.995060 where: bonds (distance) C4'-P energy: -113.001 bonds (distance) P-C4' energy: -110.629 flat angles C4'-P-C4' energy: -112.515 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -72.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -992.853336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.853336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.853336 (E_RNA) where: Base-Base interactions energy: -563.904 where: short stacking energy: -282.637 Base-Backbone interact. energy: 0.959 local terms energy: -429.908845 where: bonds (distance) C4'-P energy: -111.246 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -97.143 flat angles P-C4'-P energy: -62.803 tors. eta vs tors. theta energy: -44.270 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: 4 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -751.834006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.834006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.834006 (E_RNA) where: Base-Base interactions energy: -377.025 where: short stacking energy: -246.058 Base-Backbone interact. energy: -2.019 local terms energy: -372.790568 where: bonds (distance) C4'-P energy: -93.419 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -88.624 flat angles P-C4'-P energy: -68.803 tors. eta vs tors. theta energy: -21.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -778.494996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.494996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.494996 (E_RNA) where: Base-Base interactions energy: -412.289 where: short stacking energy: -218.443 Base-Backbone interact. energy: 0.644 local terms energy: -366.850622 where: bonds (distance) C4'-P energy: -93.650 bonds (distance) P-C4' energy: -119.603 flat angles C4'-P-C4' energy: -87.421 flat angles P-C4'-P energy: -50.015 tors. eta vs tors. theta energy: -16.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -708.456858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.456858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.456858 (E_RNA) where: Base-Base interactions energy: -364.960 where: short stacking energy: -185.107 Base-Backbone interact. energy: 3.394 local terms energy: -346.890686 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -109.998 flat angles C4'-P-C4' energy: -92.854 flat angles P-C4'-P energy: -61.483 tors. eta vs tors. theta energy: 12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1796.900120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.900120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.900120 (E_RNA) where: Base-Base interactions energy: -1172.399 where: short stacking energy: -570.195 Base-Backbone interact. energy: 0.937 local terms energy: -625.438173 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -136.675 flat angles C4'-P-C4' energy: -135.603 flat angles P-C4'-P energy: -77.514 tors. eta vs tors. theta energy: -142.937 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: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1486.097908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.097908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.097908 (E_RNA) where: Base-Base interactions energy: -908.669 where: short stacking energy: -473.968 Base-Backbone interact. energy: -1.413 local terms energy: -576.015314 where: bonds (distance) C4'-P energy: -123.575 bonds (distance) P-C4' energy: -125.316 flat angles C4'-P-C4' energy: -127.783 flat angles P-C4'-P energy: -87.798 tors. eta vs tors. theta energy: -111.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1158.749183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.749183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.749183 (E_RNA) where: Base-Base interactions energy: -666.296 where: short stacking energy: -386.205 Base-Backbone interact. energy: 0.787 local terms energy: -493.239574 where: bonds (distance) C4'-P energy: -110.638 bonds (distance) P-C4' energy: -125.635 flat angles C4'-P-C4' energy: -117.281 flat angles P-C4'-P energy: -67.115 tors. eta vs tors. theta energy: -72.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1496.100798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.100798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.100798 (E_RNA) where: Base-Base interactions energy: -958.970 where: short stacking energy: -498.688 Base-Backbone interact. energy: 4.342 local terms energy: -541.473106 where: bonds (distance) C4'-P energy: -122.863 bonds (distance) P-C4' energy: -101.456 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -71.888 tors. eta vs tors. theta energy: -122.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1136.650104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.650104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.650104 (E_RNA) where: Base-Base interactions energy: -649.434 where: short stacking energy: -352.729 Base-Backbone interact. energy: 0.318 local terms energy: -487.534683 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -109.947 flat angles C4'-P-C4' energy: -122.805 flat angles P-C4'-P energy: -61.284 tors. eta vs tors. theta energy: -75.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1225.886327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.886327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.886327 (E_RNA) where: Base-Base interactions energy: -731.679 where: short stacking energy: -349.895 Base-Backbone interact. energy: -2.857 local terms energy: -491.350649 where: bonds (distance) C4'-P energy: -113.564 bonds (distance) P-C4' energy: -116.052 flat angles C4'-P-C4' energy: -123.293 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -61.456 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: 9 Temperature: 1.200000 Total energy: -1029.322074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.322074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.322074 (E_RNA) where: Base-Base interactions energy: -613.575 where: short stacking energy: -305.974 Base-Backbone interact. energy: -0.515 local terms energy: -415.232645 where: bonds (distance) C4'-P energy: -100.212 bonds (distance) P-C4' energy: -113.197 flat angles C4'-P-C4' energy: -88.251 flat angles P-C4'-P energy: -64.889 tors. eta vs tors. theta energy: -48.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -915.994099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.994099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.994099 (E_RNA) where: Base-Base interactions energy: -515.880 where: short stacking energy: -257.769 Base-Backbone interact. energy: 1.541 local terms energy: -401.654418 where: bonds (distance) C4'-P energy: -91.780 bonds (distance) P-C4' energy: -113.852 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -699.083524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.083524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.083524 (E_RNA) where: Base-Base interactions energy: -327.001 where: short stacking energy: -209.843 Base-Backbone interact. energy: -1.389 local terms energy: -370.693732 where: bonds (distance) C4'-P energy: -96.820 bonds (distance) P-C4' energy: -115.343 flat angles C4'-P-C4' energy: -93.846 flat angles P-C4'-P energy: -49.939 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -731.188571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.188571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.188571 (E_RNA) where: Base-Base interactions energy: -367.829 where: short stacking energy: -198.795 Base-Backbone interact. energy: -1.394 local terms energy: -361.965318 where: bonds (distance) C4'-P energy: -108.566 bonds (distance) P-C4' energy: -102.927 flat angles C4'-P-C4' energy: -89.117 flat angles P-C4'-P energy: -59.915 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1799.067355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.067355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.067355 (E_RNA) where: Base-Base interactions energy: -1161.673 where: short stacking energy: -547.351 Base-Backbone interact. energy: -0.535 local terms energy: -636.858741 where: bonds (distance) C4'-P energy: -125.626 bonds (distance) P-C4' energy: -118.553 flat angles C4'-P-C4' energy: -133.448 flat angles P-C4'-P energy: -104.314 tors. eta vs tors. theta energy: -154.918 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: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1495.533195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.533195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.533195 (E_RNA) where: Base-Base interactions energy: -908.366 where: short stacking energy: -472.136 Base-Backbone interact. energy: -3.095 local terms energy: -584.072549 where: bonds (distance) C4'-P energy: -131.338 bonds (distance) P-C4' energy: -123.008 flat angles C4'-P-C4' energy: -135.952 flat angles P-C4'-P energy: -98.278 tors. eta vs tors. theta energy: -95.497 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: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1663.333336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.333336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.333336 (E_RNA) where: Base-Base interactions energy: -1087.493 where: short stacking energy: -498.778 Base-Backbone interact. energy: -2.005 local terms energy: -573.835474 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -129.686 flat angles C4'-P-C4' energy: -129.691 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -121.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1250.522880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.522880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.522880 (E_RNA) where: Base-Base interactions energy: -759.648 where: short stacking energy: -388.919 Base-Backbone interact. energy: -0.705 local terms energy: -490.169407 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -115.088 flat angles C4'-P-C4' energy: -110.023 flat angles P-C4'-P energy: -73.623 tors. eta vs tors. theta energy: -81.045 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: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1374.139292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.139292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.139292 (E_RNA) where: Base-Base interactions energy: -879.316 where: short stacking energy: -424.664 Base-Backbone interact. energy: -0.328 local terms energy: -494.494988 where: bonds (distance) C4'-P energy: -97.946 bonds (distance) P-C4' energy: -127.967 flat angles C4'-P-C4' energy: -112.337 flat angles P-C4'-P energy: -61.064 tors. eta vs tors. theta energy: -95.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1085.557929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.557929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.557929 (E_RNA) where: Base-Base interactions energy: -619.547 where: short stacking energy: -344.569 Base-Backbone interact. energy: 0.956 local terms energy: -466.966616 where: bonds (distance) C4'-P energy: -101.173 bonds (distance) P-C4' energy: -116.390 flat angles C4'-P-C4' energy: -112.407 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -72.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1104.486354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.486354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.486354 (E_RNA) where: Base-Base interactions energy: -644.549 where: short stacking energy: -317.110 Base-Backbone interact. energy: -0.026 local terms energy: -459.911389 where: bonds (distance) C4'-P energy: -121.071 bonds (distance) P-C4' energy: -120.613 flat angles C4'-P-C4' energy: -107.806 flat angles P-C4'-P energy: -55.266 tors. eta vs tors. theta energy: -55.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -984.536884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.536884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.536884 (E_RNA) where: Base-Base interactions energy: -581.801 where: short stacking energy: -290.249 Base-Backbone interact. energy: -2.374 local terms energy: -400.361982 where: bonds (distance) C4'-P energy: -113.783 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -97.509 flat angles P-C4'-P energy: -50.211 tors. eta vs tors. theta energy: -43.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -738.988258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.988258 (E_RNA) where: Base-Base interactions energy: -375.922 where: short stacking energy: -236.025 Base-Backbone interact. energy: 3.352 local terms energy: -366.418385 where: bonds (distance) C4'-P energy: -103.406 bonds (distance) P-C4' energy: -95.446 flat angles C4'-P-C4' energy: -101.699 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -736.717341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.717341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.717341 (E_RNA) where: Base-Base interactions energy: -404.439 where: short stacking energy: -191.352 Base-Backbone interact. energy: -0.102 local terms energy: -332.176876 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -89.006 flat angles C4'-P-C4' energy: -88.502 flat angles P-C4'-P energy: -55.201 tors. eta vs tors. theta energy: -8.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1820.495965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.495965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.495965 (E_RNA) where: Base-Base interactions energy: -1177.824 where: short stacking energy: -538.609 Base-Backbone interact. energy: -2.781 local terms energy: -639.891361 where: bonds (distance) C4'-P energy: -127.317 bonds (distance) P-C4' energy: -130.574 flat angles C4'-P-C4' energy: -153.117 flat angles P-C4'-P energy: -92.927 tors. eta vs tors. theta energy: -135.957 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: 2, replica: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1851.414283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.414283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.414283 (E_RNA) where: Base-Base interactions energy: -1267.580 where: short stacking energy: -566.600 Base-Backbone interact. energy: -2.204 local terms energy: -581.629850 where: bonds (distance) C4'-P energy: -104.315 bonds (distance) P-C4' energy: -113.009 flat angles C4'-P-C4' energy: -136.779 flat angles P-C4'-P energy: -81.861 tors. eta vs tors. theta energy: -145.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1503.361124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.361124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.361124 (E_RNA) where: Base-Base interactions energy: -955.390 where: short stacking energy: -485.735 Base-Backbone interact. energy: 1.733 local terms energy: -549.703851 where: bonds (distance) C4'-P energy: -105.631 bonds (distance) P-C4' energy: -126.443 flat angles C4'-P-C4' energy: -118.734 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -108.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1497.539061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.539061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.539061 (E_RNA) where: Base-Base interactions energy: -1020.326 where: short stacking energy: -465.538 Base-Backbone interact. energy: -1.113 local terms energy: -476.099482 where: bonds (distance) C4'-P energy: -105.841 bonds (distance) P-C4' energy: -115.797 flat angles C4'-P-C4' energy: -115.406 flat angles P-C4'-P energy: -38.425 tors. eta vs tors. theta energy: -100.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1175.012283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.012283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.012283 (E_RNA) where: Base-Base interactions energy: -722.774 where: short stacking energy: -324.997 Base-Backbone interact. energy: -2.681 local terms energy: -449.556829 where: bonds (distance) C4'-P energy: -103.785 bonds (distance) P-C4' energy: -123.959 flat angles C4'-P-C4' energy: -108.240 flat angles P-C4'-P energy: -65.595 tors. eta vs tors. theta energy: -47.978 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1229.795599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.795599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.795599 (E_RNA) where: Base-Base interactions energy: -739.423 where: short stacking energy: -352.984 Base-Backbone interact. energy: -1.770 local terms energy: -488.601651 where: bonds (distance) C4'-P energy: -116.078 bonds (distance) P-C4' energy: -110.152 flat angles C4'-P-C4' energy: -116.481 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -75.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1022.123333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.123333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.123333 (E_RNA) where: Base-Base interactions energy: -612.569 where: short stacking energy: -316.364 Base-Backbone interact. energy: 0.669 local terms energy: -410.223429 where: bonds (distance) C4'-P energy: -103.390 bonds (distance) P-C4' energy: -95.999 flat angles C4'-P-C4' energy: -114.656 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -46.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1102.944526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.944526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.944526 (E_RNA) where: Base-Base interactions energy: -660.709 where: short stacking energy: -327.103 Base-Backbone interact. energy: 0.635 local terms energy: -442.870031 where: bonds (distance) C4'-P energy: -107.486 bonds (distance) P-C4' energy: -104.488 flat angles C4'-P-C4' energy: -97.323 flat angles P-C4'-P energy: -72.155 tors. eta vs tors. theta energy: -61.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -743.118142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.118142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.118142 (E_RNA) where: Base-Base interactions energy: -379.874 where: short stacking energy: -218.932 Base-Backbone interact. energy: 2.598 local terms energy: -365.842205 where: bonds (distance) C4'-P energy: -102.651 bonds (distance) P-C4' energy: -100.778 flat angles C4'-P-C4' energy: -93.783 flat angles P-C4'-P energy: -58.484 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: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -897.078264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.078264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.078264 (E_RNA) where: Base-Base interactions energy: -598.405 where: short stacking energy: -275.507 Base-Backbone interact. energy: 0.499 local terms energy: -299.172075 where: bonds (distance) C4'-P energy: -75.230 bonds (distance) P-C4' energy: -96.305 flat angles C4'-P-C4' energy: -96.907 flat angles P-C4'-P energy: -27.839 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1911.185610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.185610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.185610 (E_RNA) where: Base-Base interactions energy: -1308.532 where: short stacking energy: -581.239 Base-Backbone interact. energy: -1.193 local terms energy: -601.460810 where: bonds (distance) C4'-P energy: -111.444 bonds (distance) P-C4' energy: -126.062 flat angles C4'-P-C4' energy: -135.754 flat angles P-C4'-P energy: -82.339 tors. eta vs tors. theta energy: -145.862 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: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1766.258640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.258640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.258640 (E_RNA) where: Base-Base interactions energy: -1191.244 where: short stacking energy: -534.669 Base-Backbone interact. energy: -0.007 local terms energy: -575.007630 where: bonds (distance) C4'-P energy: -120.624 bonds (distance) P-C4' energy: -112.409 flat angles C4'-P-C4' energy: -117.398 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -143.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1653.364665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.364665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.364665 (E_RNA) where: Base-Base interactions energy: -1089.092 where: short stacking energy: -481.096 Base-Backbone interact. energy: -0.823 local terms energy: -563.450121 where: bonds (distance) C4'-P energy: -121.712 bonds (distance) P-C4' energy: -112.449 flat angles C4'-P-C4' energy: -123.115 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -122.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1491.909345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.909345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.909345 (E_RNA) where: Base-Base interactions energy: -975.185 where: short stacking energy: -457.195 Base-Backbone interact. energy: -2.797 local terms energy: -513.928170 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -109.006 flat angles C4'-P-C4' energy: -118.900 flat angles P-C4'-P energy: -72.344 tors. eta vs tors. theta energy: -103.767 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: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1316.759195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.759195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.759195 (E_RNA) where: Base-Base interactions energy: -822.434 where: short stacking energy: -390.709 Base-Backbone interact. energy: 2.566 local terms energy: -496.892021 where: bonds (distance) C4'-P energy: -112.260 bonds (distance) P-C4' energy: -116.797 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -63.096 tors. eta vs tors. theta energy: -84.328 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: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1296.792995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.792995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.792995 (E_RNA) where: Base-Base interactions energy: -818.566 where: short stacking energy: -365.487 Base-Backbone interact. energy: 2.176 local terms energy: -480.403484 where: bonds (distance) C4'-P energy: -105.613 bonds (distance) P-C4' energy: -111.492 flat angles C4'-P-C4' energy: -118.244 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -76.649 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: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1306.557575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.557575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.557575 (E_RNA) where: Base-Base interactions energy: -857.391 where: short stacking energy: -391.081 Base-Backbone interact. energy: 0.244 local terms energy: -449.411122 where: bonds (distance) C4'-P energy: -103.910 bonds (distance) P-C4' energy: -111.256 flat angles C4'-P-C4' energy: -98.648 flat angles P-C4'-P energy: -65.102 tors. eta vs tors. theta energy: -70.494 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: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -941.589984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.589984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.589984 (E_RNA) where: Base-Base interactions energy: -508.814 where: short stacking energy: -253.192 Base-Backbone interact. energy: -1.958 local terms energy: -430.817931 where: bonds (distance) C4'-P energy: -104.045 bonds (distance) P-C4' energy: -110.419 flat angles C4'-P-C4' energy: -118.504 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -28.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1100.794714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.794714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.794714 (E_RNA) where: Base-Base interactions energy: -718.730 where: short stacking energy: -303.097 Base-Backbone interact. energy: -1.136 local terms energy: -380.929304 where: bonds (distance) C4'-P energy: -100.460 bonds (distance) P-C4' energy: -91.279 flat angles C4'-P-C4' energy: -76.673 flat angles P-C4'-P energy: -66.551 tors. eta vs tors. theta energy: -45.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -725.906480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.906480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.906480 (E_RNA) where: Base-Base interactions energy: -373.096 where: short stacking energy: -183.035 Base-Backbone interact. energy: 3.148 local terms energy: -355.959005 where: bonds (distance) C4'-P energy: -104.983 bonds (distance) P-C4' energy: -116.153 flat angles C4'-P-C4' energy: -76.415 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: 2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1977.487094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.487094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.487094 (E_RNA) where: Base-Base interactions energy: -1377.539 where: short stacking energy: -577.563 Base-Backbone interact. energy: -2.843 local terms energy: -597.105612 where: bonds (distance) C4'-P energy: -119.139 bonds (distance) P-C4' energy: -128.581 flat angles C4'-P-C4' energy: -134.313 flat angles P-C4'-P energy: -75.869 tors. eta vs tors. theta energy: -139.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1773.656385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.656385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.656385 (E_RNA) where: Base-Base interactions energy: -1170.755 where: short stacking energy: -555.050 Base-Backbone interact. energy: -1.412 local terms energy: -601.489964 where: bonds (distance) C4'-P energy: -114.240 bonds (distance) P-C4' energy: -113.945 flat angles C4'-P-C4' energy: -137.629 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -147.717 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: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1724.092540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.092540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.092540 (E_RNA) where: Base-Base interactions energy: -1129.797 where: short stacking energy: -515.752 Base-Backbone interact. energy: 2.538 local terms energy: -596.833583 where: bonds (distance) C4'-P energy: -118.456 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -136.369 flat angles P-C4'-P energy: -80.947 tors. eta vs tors. theta energy: -132.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1558.167111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.167111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.167111 (E_RNA) where: Base-Base interactions energy: -1017.842 where: short stacking energy: -467.925 Base-Backbone interact. energy: -0.688 local terms energy: -539.636514 where: bonds (distance) C4'-P energy: -122.136 bonds (distance) P-C4' energy: -127.258 flat angles C4'-P-C4' energy: -124.889 flat angles P-C4'-P energy: -62.562 tors. eta vs tors. theta energy: -102.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1333.318237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.318237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.318237 (E_RNA) where: Base-Base interactions energy: -835.476 where: short stacking energy: -416.333 Base-Backbone interact. energy: 0.762 local terms energy: -498.603669 where: bonds (distance) C4'-P energy: -99.670 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -120.698 flat angles P-C4'-P energy: -70.318 tors. eta vs tors. theta energy: -94.756 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: 13 Temperature: 1.150000 Total energy: -1380.669069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.669069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.669069 (E_RNA) where: Base-Base interactions energy: -909.064 where: short stacking energy: -417.066 Base-Backbone interact. energy: 0.397 local terms energy: -472.001508 where: bonds (distance) C4'-P energy: -87.496 bonds (distance) P-C4' energy: -113.644 flat angles C4'-P-C4' energy: -111.917 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -88.700 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: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1351.213950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.213950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.213950 (E_RNA) where: Base-Base interactions energy: -871.697 where: short stacking energy: -367.846 Base-Backbone interact. energy: 2.999 local terms energy: -482.516781 where: bonds (distance) C4'-P energy: -91.714 bonds (distance) P-C4' energy: -123.744 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -89.398 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: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1234.121806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.121806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.121806 (E_RNA) where: Base-Base interactions energy: -799.780 where: short stacking energy: -350.626 Base-Backbone interact. energy: -1.993 local terms energy: -432.348016 where: bonds (distance) C4'-P energy: -81.621 bonds (distance) P-C4' energy: -104.078 flat angles C4'-P-C4' energy: -110.443 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -60.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -863.606037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.606037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.606037 (E_RNA) where: Base-Base interactions energy: -460.571 where: short stacking energy: -239.282 Base-Backbone interact. energy: -2.897 local terms energy: -400.137791 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -95.947 flat angles C4'-P-C4' energy: -114.039 flat angles P-C4'-P energy: -65.683 tors. eta vs tors. theta energy: -30.353 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: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -877.804440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.804440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.804440 (E_RNA) where: Base-Base interactions energy: -517.000 where: short stacking energy: -234.447 Base-Backbone interact. energy: 2.946 local terms energy: -363.750622 where: bonds (distance) C4'-P energy: -93.973 bonds (distance) P-C4' energy: -120.845 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -66.715 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: 1, replica: 10 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2075.996336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.996336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.996336 (E_RNA) where: Base-Base interactions energy: -1425.285 where: short stacking energy: -619.043 Base-Backbone interact. energy: -1.321 local terms energy: -649.390065 where: bonds (distance) C4'-P energy: -127.401 bonds (distance) P-C4' energy: -124.025 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -92.824 tors. eta vs tors. theta energy: -163.243 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: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1788.328833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.328833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.328833 (E_RNA) where: Base-Base interactions energy: -1163.938 where: short stacking energy: -539.444 Base-Backbone interact. energy: -2.009 local terms energy: -622.381592 where: bonds (distance) C4'-P energy: -129.265 bonds (distance) P-C4' energy: -110.701 flat angles C4'-P-C4' energy: -142.434 flat angles P-C4'-P energy: -95.159 tors. eta vs tors. theta energy: -144.823 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: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1827.393612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.393612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.393612 (E_RNA) where: Base-Base interactions energy: -1238.831 where: short stacking energy: -527.786 Base-Backbone interact. energy: -0.758 local terms energy: -587.804732 where: bonds (distance) C4'-P energy: -121.324 bonds (distance) P-C4' energy: -116.440 flat angles C4'-P-C4' energy: -142.422 flat angles P-C4'-P energy: -79.776 tors. eta vs tors. theta energy: -127.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1546.009027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.009027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.009027 (E_RNA) where: Base-Base interactions energy: -1028.546 where: short stacking energy: -432.255 Base-Backbone interact. energy: 0.532 local terms energy: -517.994608 where: bonds (distance) C4'-P energy: -114.187 bonds (distance) P-C4' energy: -110.536 flat angles C4'-P-C4' energy: -109.460 flat angles P-C4'-P energy: -84.133 tors. eta vs tors. theta energy: -99.680 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: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1471.086801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.086801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.086801 (E_RNA) where: Base-Base interactions energy: -936.897 where: short stacking energy: -432.787 Base-Backbone interact. energy: -0.371 local terms energy: -533.818937 where: bonds (distance) C4'-P energy: -128.480 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -104.436 flat angles P-C4'-P energy: -71.339 tors. eta vs tors. theta energy: -106.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1263.986506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.986506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.986506 (E_RNA) where: Base-Base interactions energy: -791.038 where: short stacking energy: -380.075 Base-Backbone interact. energy: -1.659 local terms energy: -471.289357 where: bonds (distance) C4'-P energy: -106.365 bonds (distance) P-C4' energy: -102.703 flat angles C4'-P-C4' energy: -108.759 flat angles P-C4'-P energy: -72.202 tors. eta vs tors. theta energy: -81.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1422.759916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.759916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.759916 (E_RNA) where: Base-Base interactions energy: -932.313 where: short stacking energy: -388.723 Base-Backbone interact. energy: 0.884 local terms energy: -491.330747 where: bonds (distance) C4'-P energy: -100.911 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -105.787 flat angles P-C4'-P energy: -82.443 tors. eta vs tors. theta energy: -86.488 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: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1291.606425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.606425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.606425 (E_RNA) where: Base-Base interactions energy: -834.429 where: short stacking energy: -376.679 Base-Backbone interact. energy: -1.002 local terms energy: -456.175662 where: bonds (distance) C4'-P energy: -101.989 bonds (distance) P-C4' energy: -105.774 flat angles C4'-P-C4' energy: -109.528 flat angles P-C4'-P energy: -66.612 tors. eta vs tors. theta energy: -72.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -905.175204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.175204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.175204 (E_RNA) where: Base-Base interactions energy: -521.388 where: short stacking energy: -246.562 Base-Backbone interact. energy: -0.767 local terms energy: -383.020706 where: bonds (distance) C4'-P energy: -101.554 bonds (distance) P-C4' energy: -109.961 flat angles C4'-P-C4' energy: -98.960 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -13.290 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: 10, replica: 4 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -859.756938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.756938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.756938 (E_RNA) where: Base-Base interactions energy: -515.819 where: short stacking energy: -236.220 Base-Backbone interact. energy: -0.305 local terms energy: -343.633371 where: bonds (distance) C4'-P energy: -100.217 bonds (distance) P-C4' energy: -84.093 flat angles C4'-P-C4' energy: -91.434 flat angles P-C4'-P energy: -44.934 tors. eta vs tors. theta energy: -22.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2070.528339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.528339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.528339 (E_RNA) where: Base-Base interactions energy: -1420.788 where: short stacking energy: -605.444 Base-Backbone interact. energy: 0.520 local terms energy: -650.260400 where: bonds (distance) C4'-P energy: -118.358 bonds (distance) P-C4' energy: -132.096 flat angles C4'-P-C4' energy: -144.803 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -161.130 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: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1910.608131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.608131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.608131 (E_RNA) where: Base-Base interactions energy: -1307.866 where: short stacking energy: -587.546 Base-Backbone interact. energy: -0.699 local terms energy: -602.043358 where: bonds (distance) C4'-P energy: -113.966 bonds (distance) P-C4' energy: -121.184 flat angles C4'-P-C4' energy: -134.526 flat angles P-C4'-P energy: -85.635 tors. eta vs tors. theta energy: -146.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1749.022871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.022871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.022871 (E_RNA) where: Base-Base interactions energy: -1187.476 where: short stacking energy: -536.228 Base-Backbone interact. energy: -0.676 local terms energy: -560.870767 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -116.685 flat angles C4'-P-C4' energy: -136.972 flat angles P-C4'-P energy: -80.214 tors. eta vs tors. theta energy: -120.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1671.227113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.227113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.227113 (E_RNA) where: Base-Base interactions energy: -1145.295 where: short stacking energy: -487.859 Base-Backbone interact. energy: -2.199 local terms energy: -523.733953 where: bonds (distance) C4'-P energy: -106.057 bonds (distance) P-C4' energy: -104.624 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -80.344 tors. eta vs tors. theta energy: -118.603 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: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1511.528326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.528326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.528326 (E_RNA) where: Base-Base interactions energy: -982.511 where: short stacking energy: -430.043 Base-Backbone interact. energy: 6.669 local terms energy: -535.685896 where: bonds (distance) C4'-P energy: -115.718 bonds (distance) P-C4' energy: -127.453 flat angles C4'-P-C4' energy: -119.104 flat angles P-C4'-P energy: -76.156 tors. eta vs tors. theta energy: -97.255 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: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1495.765955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.765955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.765955 (E_RNA) where: Base-Base interactions energy: -985.902 where: short stacking energy: -449.321 Base-Backbone interact. energy: -1.624 local terms energy: -508.240629 where: bonds (distance) C4'-P energy: -125.515 bonds (distance) P-C4' energy: -118.568 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -101.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1308.101969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.101969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.101969 (E_RNA) where: Base-Base interactions energy: -829.083 where: short stacking energy: -373.822 Base-Backbone interact. energy: -1.127 local terms energy: -477.891927 where: bonds (distance) C4'-P energy: -107.068 bonds (distance) P-C4' energy: -116.578 flat angles C4'-P-C4' energy: -102.787 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -80.461 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: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1346.352989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.352989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.352989 (E_RNA) where: Base-Base interactions energy: -887.559 where: short stacking energy: -369.665 Base-Backbone interact. energy: -3.291 local terms energy: -455.503116 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -92.791 flat angles C4'-P-C4' energy: -114.547 flat angles P-C4'-P energy: -64.002 tors. eta vs tors. theta energy: -92.579 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: 3 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -927.612985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.612985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.612985 (E_RNA) where: Base-Base interactions energy: -535.331 where: short stacking energy: -295.048 Base-Backbone interact. energy: 4.953 local terms energy: -397.235251 where: bonds (distance) C4'-P energy: -85.476 bonds (distance) P-C4' energy: -96.670 flat angles C4'-P-C4' energy: -106.138 flat angles P-C4'-P energy: -56.333 tors. eta vs tors. theta energy: -52.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -873.877703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.877703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.877703 (E_RNA) where: Base-Base interactions energy: -527.870 where: short stacking energy: -254.696 Base-Backbone interact. energy: 1.210 local terms energy: -347.217539 where: bonds (distance) C4'-P energy: -95.767 bonds (distance) P-C4' energy: -94.815 flat angles C4'-P-C4' energy: -93.969 flat angles P-C4'-P energy: -39.786 tors. eta vs tors. theta energy: -22.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2085.792508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.792508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.792508 (E_RNA) where: Base-Base interactions energy: -1473.496 where: short stacking energy: -609.794 Base-Backbone interact. energy: 0.996 local terms energy: -613.292580 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -122.374 flat angles C4'-P-C4' energy: -140.473 flat angles P-C4'-P energy: -75.638 tors. eta vs tors. theta energy: -159.037 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: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1941.824029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.824029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.824029 (E_RNA) where: Base-Base interactions energy: -1355.732 where: short stacking energy: -574.950 Base-Backbone interact. energy: 0.006 local terms energy: -586.097599 where: bonds (distance) C4'-P energy: -110.850 bonds (distance) P-C4' energy: -121.477 flat angles C4'-P-C4' energy: -135.280 flat angles P-C4'-P energy: -76.410 tors. eta vs tors. theta energy: -142.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1739.960334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.960334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.960334 (E_RNA) where: Base-Base interactions energy: -1147.592 where: short stacking energy: -497.601 Base-Backbone interact. energy: -3.237 local terms energy: -589.131509 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -127.708 flat angles C4'-P-C4' energy: -126.905 flat angles P-C4'-P energy: -85.249 tors. eta vs tors. theta energy: -128.161 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: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1712.011886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.011886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.011886 (E_RNA) where: Base-Base interactions energy: -1158.688 where: short stacking energy: -489.546 Base-Backbone interact. energy: -0.596 local terms energy: -552.727703 where: bonds (distance) C4'-P energy: -102.009 bonds (distance) P-C4' energy: -132.514 flat angles C4'-P-C4' energy: -129.448 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -126.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1566.319482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.319482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.319482 (E_RNA) where: Base-Base interactions energy: -1042.160 where: short stacking energy: -437.590 Base-Backbone interact. energy: -0.195 local terms energy: -523.964928 where: bonds (distance) C4'-P energy: -121.925 bonds (distance) P-C4' energy: -104.130 flat angles C4'-P-C4' energy: -136.652 flat angles P-C4'-P energy: -76.313 tors. eta vs tors. theta energy: -84.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1506.240285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.240285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.240285 (E_RNA) where: Base-Base interactions energy: -1004.784 where: short stacking energy: -428.172 Base-Backbone interact. energy: -1.384 local terms energy: -500.072697 where: bonds (distance) C4'-P energy: -88.039 bonds (distance) P-C4' energy: -106.243 flat angles C4'-P-C4' energy: -119.800 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -102.351 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: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1399.610674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.610674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.610674 (E_RNA) where: Base-Base interactions energy: -923.685 where: short stacking energy: -418.526 Base-Backbone interact. energy: -0.666 local terms energy: -475.259484 where: bonds (distance) C4'-P energy: -79.089 bonds (distance) P-C4' energy: -111.017 flat angles C4'-P-C4' energy: -117.623 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -93.272 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1208.585110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.585110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.585110 (E_RNA) where: Base-Base interactions energy: -792.356 where: short stacking energy: -336.834 Base-Backbone interact. energy: -0.297 local terms energy: -415.933039 where: bonds (distance) C4'-P energy: -99.778 bonds (distance) P-C4' energy: -107.509 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -69.083 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: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1045.093558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.093558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.093558 (E_RNA) where: Base-Base interactions energy: -615.391 where: short stacking energy: -296.507 Base-Backbone interact. energy: -1.868 local terms energy: -427.834778 where: bonds (distance) C4'-P energy: -109.697 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -94.514 flat angles P-C4'-P energy: -72.968 tors. eta vs tors. theta energy: -44.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -882.476346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.476346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.476346 (E_RNA) where: Base-Base interactions energy: -516.881 where: short stacking energy: -243.349 Base-Backbone interact. energy: 5.239 local terms energy: -370.833796 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -100.616 flat angles C4'-P-C4' energy: -87.609 flat angles P-C4'-P energy: -59.456 tors. eta vs tors. theta energy: -30.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2122.712744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.712744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.712744 (E_RNA) where: Base-Base interactions energy: -1476.396 where: short stacking energy: -599.272 Base-Backbone interact. energy: -1.184 local terms energy: -645.133575 where: bonds (distance) C4'-P energy: -118.180 bonds (distance) P-C4' energy: -128.696 flat angles C4'-P-C4' energy: -147.828 flat angles P-C4'-P energy: -88.893 tors. eta vs tors. theta energy: -161.537 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: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2011.557512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.557512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.557512 (E_RNA) where: Base-Base interactions energy: -1387.146 where: short stacking energy: -586.272 Base-Backbone interact. energy: -2.360 local terms energy: -622.052409 where: bonds (distance) C4'-P energy: -121.915 bonds (distance) P-C4' energy: -118.388 flat angles C4'-P-C4' energy: -130.236 flat angles P-C4'-P energy: -92.673 tors. eta vs tors. theta energy: -158.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1760.857110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.857110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.857110 (E_RNA) where: Base-Base interactions energy: -1177.290 where: short stacking energy: -520.412 Base-Backbone interact. energy: 1.670 local terms energy: -585.237980 where: bonds (distance) C4'-P energy: -117.698 bonds (distance) P-C4' energy: -124.542 flat angles C4'-P-C4' energy: -139.755 flat angles P-C4'-P energy: -83.456 tors. eta vs tors. theta energy: -119.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1753.994958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.994958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.994958 (E_RNA) where: Base-Base interactions energy: -1191.531 where: short stacking energy: -534.892 Base-Backbone interact. energy: 0.643 local terms energy: -563.107223 where: bonds (distance) C4'-P energy: -109.023 bonds (distance) P-C4' energy: -110.329 flat angles C4'-P-C4' energy: -124.225 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -144.898 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: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1536.806053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.806053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.806053 (E_RNA) where: Base-Base interactions energy: -1029.324 where: short stacking energy: -457.121 Base-Backbone interact. energy: 1.406 local terms energy: -508.887363 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -113.027 flat angles C4'-P-C4' energy: -99.425 flat angles P-C4'-P energy: -83.132 tors. eta vs tors. theta energy: -104.628 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: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1504.771627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.771627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.771627 (E_RNA) where: Base-Base interactions energy: -1008.139 where: short stacking energy: -437.726 Base-Backbone interact. energy: -0.230 local terms energy: -496.402700 where: bonds (distance) C4'-P energy: -99.432 bonds (distance) P-C4' energy: -107.725 flat angles C4'-P-C4' energy: -112.442 flat angles P-C4'-P energy: -84.874 tors. eta vs tors. theta energy: -91.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1478.463448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.463448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.463448 (E_RNA) where: Base-Base interactions energy: -995.728 where: short stacking energy: -399.227 Base-Backbone interact. energy: 0.767 local terms energy: -483.502481 where: bonds (distance) C4'-P energy: -110.459 bonds (distance) P-C4' energy: -105.989 flat angles C4'-P-C4' energy: -107.970 flat angles P-C4'-P energy: -73.979 tors. eta vs tors. theta energy: -85.105 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: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1304.784667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.784667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.784667 (E_RNA) where: Base-Base interactions energy: -880.121 where: short stacking energy: -389.576 Base-Backbone interact. energy: 0.070 local terms energy: -424.733746 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -84.506 flat angles C4'-P-C4' energy: -108.242 flat angles P-C4'-P energy: -53.776 tors. eta vs tors. theta energy: -84.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1148.317205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.317205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.317205 (E_RNA) where: Base-Base interactions energy: -752.876 where: short stacking energy: -340.692 Base-Backbone interact. energy: -1.422 local terms energy: -394.018823 where: bonds (distance) C4'-P energy: -107.566 bonds (distance) P-C4' energy: -94.218 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -43.770 tors. eta vs tors. theta energy: -54.756 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: 3 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -849.394933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.394933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.394933 (E_RNA) where: Base-Base interactions energy: -495.762 where: short stacking energy: -259.362 Base-Backbone interact. energy: -0.560 local terms energy: -353.073606 where: bonds (distance) C4'-P energy: -77.983 bonds (distance) P-C4' energy: -93.523 flat angles C4'-P-C4' energy: -98.665 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -25.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2170.893416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.893416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.893416 (E_RNA) where: Base-Base interactions energy: -1526.724 where: short stacking energy: -626.601 Base-Backbone interact. energy: -1.133 local terms energy: -643.036500 where: bonds (distance) C4'-P energy: -116.924 bonds (distance) P-C4' energy: -131.624 flat angles C4'-P-C4' energy: -143.911 flat angles P-C4'-P energy: -78.996 tors. eta vs tors. theta energy: -171.582 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: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1995.114385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.114385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.114385 (E_RNA) where: Base-Base interactions energy: -1383.145 where: short stacking energy: -581.669 Base-Backbone interact. energy: -1.450 local terms energy: -610.519494 where: bonds (distance) C4'-P energy: -122.693 bonds (distance) P-C4' energy: -122.935 flat angles C4'-P-C4' energy: -126.483 flat angles P-C4'-P energy: -94.186 tors. eta vs tors. theta energy: -144.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1737.755237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.755237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.755237 (E_RNA) where: Base-Base interactions energy: -1152.964 where: short stacking energy: -529.271 Base-Backbone interact. energy: 3.757 local terms energy: -588.548064 where: bonds (distance) C4'-P energy: -114.458 bonds (distance) P-C4' energy: -114.370 flat angles C4'-P-C4' energy: -132.180 flat angles P-C4'-P energy: -87.033 tors. eta vs tors. theta energy: -140.507 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: 18 Temperature: 1.050000 Total energy: -1776.489955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.489955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.489955 (E_RNA) where: Base-Base interactions energy: -1198.313 where: short stacking energy: -522.934 Base-Backbone interact. energy: -3.806 local terms energy: -574.370659 where: bonds (distance) C4'-P energy: -117.633 bonds (distance) P-C4' energy: -115.821 flat angles C4'-P-C4' energy: -134.093 flat angles P-C4'-P energy: -75.140 tors. eta vs tors. theta energy: -131.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1525.876624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.876624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.876624 (E_RNA) where: Base-Base interactions energy: -1033.213 where: short stacking energy: -449.528 Base-Backbone interact. energy: -2.230 local terms energy: -490.433637 where: bonds (distance) C4'-P energy: -92.064 bonds (distance) P-C4' energy: -102.735 flat angles C4'-P-C4' energy: -111.595 flat angles P-C4'-P energy: -77.164 tors. eta vs tors. theta energy: -106.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1535.339418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.339418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.339418 (E_RNA) where: Base-Base interactions energy: -1022.490 where: short stacking energy: -450.052 Base-Backbone interact. energy: -0.809 local terms energy: -512.040881 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -106.922 flat angles C4'-P-C4' energy: -125.017 flat angles P-C4'-P energy: -70.333 tors. eta vs tors. theta energy: -104.972 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: 7, replica: 1 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1492.657428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.657428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.657428 (E_RNA) where: Base-Base interactions energy: -987.840 where: short stacking energy: -411.496 Base-Backbone interact. energy: -0.423 local terms energy: -504.394018 where: bonds (distance) C4'-P energy: -114.371 bonds (distance) P-C4' energy: -100.729 flat angles C4'-P-C4' energy: -107.523 flat angles P-C4'-P energy: -77.350 tors. eta vs tors. theta energy: -104.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1380.296951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.296951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.296951 (E_RNA) where: Base-Base interactions energy: -911.581 where: short stacking energy: -390.848 Base-Backbone interact. energy: 2.385 local terms energy: -471.100668 where: bonds (distance) C4'-P energy: -88.586 bonds (distance) P-C4' energy: -98.452 flat angles C4'-P-C4' energy: -111.302 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -92.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1264.653848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.653848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.653848 (E_RNA) where: Base-Base interactions energy: -811.943 where: short stacking energy: -345.860 Base-Backbone interact. energy: -1.778 local terms energy: -450.932729 where: bonds (distance) C4'-P energy: -109.581 bonds (distance) P-C4' energy: -101.144 flat angles C4'-P-C4' energy: -103.002 flat angles P-C4'-P energy: -64.403 tors. eta vs tors. theta energy: -72.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -941.267853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.267853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.267853 (E_RNA) where: Base-Base interactions energy: -545.466 where: short stacking energy: -264.898 Base-Backbone interact. energy: -0.629 local terms energy: -395.173115 where: bonds (distance) C4'-P energy: -97.900 bonds (distance) P-C4' energy: -111.107 flat angles C4'-P-C4' energy: -103.219 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -38.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2195.678902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.678902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.678902 (E_RNA) where: Base-Base interactions energy: -1558.880 where: short stacking energy: -646.836 Base-Backbone interact. energy: -2.161 local terms energy: -634.637313 where: bonds (distance) C4'-P energy: -127.319 bonds (distance) P-C4' energy: -122.677 flat angles C4'-P-C4' energy: -136.315 flat angles P-C4'-P energy: -76.919 tors. eta vs tors. theta energy: -171.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2011.106035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.106035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.106035 (E_RNA) where: Base-Base interactions energy: -1397.271 where: short stacking energy: -590.071 Base-Backbone interact. energy: 0.220 local terms energy: -614.055011 where: bonds (distance) C4'-P energy: -108.658 bonds (distance) P-C4' energy: -125.282 flat angles C4'-P-C4' energy: -141.018 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -151.151 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: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1749.856935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.856935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.856935 (E_RNA) where: Base-Base interactions energy: -1175.974 where: short stacking energy: -510.360 Base-Backbone interact. energy: 9.466 local terms energy: -583.348367 where: bonds (distance) C4'-P energy: -117.733 bonds (distance) P-C4' energy: -123.354 flat angles C4'-P-C4' energy: -129.829 flat angles P-C4'-P energy: -89.795 tors. eta vs tors. theta energy: -122.638 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: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1752.543847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.543847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.543847 (E_RNA) where: Base-Base interactions energy: -1179.349 where: short stacking energy: -480.763 Base-Backbone interact. energy: 3.204 local terms energy: -576.398188 where: bonds (distance) C4'-P energy: -125.869 bonds (distance) P-C4' energy: -115.468 flat angles C4'-P-C4' energy: -113.386 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -125.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1602.087164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.087164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.087164 (E_RNA) where: Base-Base interactions energy: -1088.198 where: short stacking energy: -484.605 Base-Backbone interact. energy: 2.135 local terms energy: -516.023363 where: bonds (distance) C4'-P energy: -114.194 bonds (distance) P-C4' energy: -110.414 flat angles C4'-P-C4' energy: -106.109 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -104.819 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: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1599.526994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.526994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.526994 (E_RNA) where: Base-Base interactions energy: -1068.574 where: short stacking energy: -462.490 Base-Backbone interact. energy: 3.876 local terms energy: -534.829052 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -127.282 flat angles C4'-P-C4' energy: -110.566 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -114.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1543.188889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.188889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.188889 (E_RNA) where: Base-Base interactions energy: -1070.470 where: short stacking energy: -451.481 Base-Backbone interact. energy: 2.413 local terms energy: -475.132592 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -100.955 flat angles C4'-P-C4' energy: -102.536 flat angles P-C4'-P energy: -56.929 tors. eta vs tors. theta energy: -99.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1393.828910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.828910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.828910 (E_RNA) where: Base-Base interactions energy: -920.738 where: short stacking energy: -402.093 Base-Backbone interact. energy: 5.585 local terms energy: -478.676028 where: bonds (distance) C4'-P energy: -92.849 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -111.159 flat angles P-C4'-P energy: -73.007 tors. eta vs tors. theta energy: -91.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1350.723267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.723267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.723267 (E_RNA) where: Base-Base interactions energy: -909.181 where: short stacking energy: -367.683 Base-Backbone interact. energy: 6.860 local terms energy: -448.402017 where: bonds (distance) C4'-P energy: -83.375 bonds (distance) P-C4' energy: -103.852 flat angles C4'-P-C4' energy: -109.943 flat angles P-C4'-P energy: -69.523 tors. eta vs tors. theta energy: -81.709 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: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1069.237428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.237428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.237428 (E_RNA) where: Base-Base interactions energy: -680.830 where: short stacking energy: -280.921 Base-Backbone interact. energy: 2.477 local terms energy: -390.884390 where: bonds (distance) C4'-P energy: -90.927 bonds (distance) P-C4' energy: -105.002 flat angles C4'-P-C4' energy: -89.428 flat angles P-C4'-P energy: -76.563 tors. eta vs tors. theta energy: -28.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2148.892313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.892313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.892313 (E_RNA) where: Base-Base interactions energy: -1520.781 where: short stacking energy: -611.712 Base-Backbone interact. energy: 2.871 local terms energy: -630.982325 where: bonds (distance) C4'-P energy: -123.309 bonds (distance) P-C4' energy: -129.048 flat angles C4'-P-C4' energy: -140.506 flat angles P-C4'-P energy: -84.446 tors. eta vs tors. theta energy: -153.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2100.600232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.600232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.600232 (E_RNA) where: Base-Base interactions energy: -1464.821 where: short stacking energy: -619.202 Base-Backbone interact. energy: -0.590 local terms energy: -635.189915 where: bonds (distance) C4'-P energy: -121.005 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -131.102 flat angles P-C4'-P energy: -101.501 tors. eta vs tors. theta energy: -162.878 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: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1861.776890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.776890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.776890 (E_RNA) where: Base-Base interactions energy: -1292.020 where: short stacking energy: -530.517 Base-Backbone interact. energy: -1.573 local terms energy: -568.184443 where: bonds (distance) C4'-P energy: -112.330 bonds (distance) P-C4' energy: -111.210 flat angles C4'-P-C4' energy: -134.915 flat angles P-C4'-P energy: -69.514 tors. eta vs tors. theta energy: -140.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1718.543734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.543734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.543734 (E_RNA) where: Base-Base interactions energy: -1142.667 where: short stacking energy: -514.404 Base-Backbone interact. energy: -1.704 local terms energy: -574.172239 where: bonds (distance) C4'-P energy: -126.567 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -122.731 flat angles P-C4'-P energy: -91.380 tors. eta vs tors. theta energy: -124.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1640.986067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.986067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.986067 (E_RNA) where: Base-Base interactions energy: -1084.717 where: short stacking energy: -469.889 Base-Backbone interact. energy: -2.301 local terms energy: -553.967924 where: bonds (distance) C4'-P energy: -113.540 bonds (distance) P-C4' energy: -115.681 flat angles C4'-P-C4' energy: -121.652 flat angles P-C4'-P energy: -89.453 tors. eta vs tors. theta energy: -113.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1573.299093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.299093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.299093 (E_RNA) where: Base-Base interactions energy: -1084.763 where: short stacking energy: -436.246 Base-Backbone interact. energy: 1.539 local terms energy: -490.074790 where: bonds (distance) C4'-P energy: -112.854 bonds (distance) P-C4' energy: -102.264 flat angles C4'-P-C4' energy: -124.766 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -83.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1582.264465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.264465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.264465 (E_RNA) where: Base-Base interactions energy: -1082.177 where: short stacking energy: -436.862 Base-Backbone interact. energy: 4.265 local terms energy: -504.352524 where: bonds (distance) C4'-P energy: -101.375 bonds (distance) P-C4' energy: -110.856 flat angles C4'-P-C4' energy: -128.231 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -99.514 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: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1400.267062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.267062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.267062 (E_RNA) where: Base-Base interactions energy: -945.193 where: short stacking energy: -408.415 Base-Backbone interact. energy: 4.959 local terms energy: -460.033035 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -110.936 flat angles C4'-P-C4' energy: -99.068 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -82.275 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: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1392.632586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.632586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.632586 (E_RNA) where: Base-Base interactions energy: -928.875 where: short stacking energy: -379.631 Base-Backbone interact. energy: 7.457 local terms energy: -471.214591 where: bonds (distance) C4'-P energy: -94.032 bonds (distance) P-C4' energy: -103.967 flat angles C4'-P-C4' energy: -114.405 flat angles P-C4'-P energy: -67.401 tors. eta vs tors. theta energy: -91.410 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: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1090.069131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.069131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.069131 (E_RNA) where: Base-Base interactions energy: -670.772 where: short stacking energy: -306.353 Base-Backbone interact. energy: -2.073 local terms energy: -417.223979 where: bonds (distance) C4'-P energy: -85.339 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -108.758 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -64.153 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: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2140.253288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.253288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.253288 (E_RNA) where: Base-Base interactions energy: -1533.664 where: short stacking energy: -574.721 Base-Backbone interact. energy: 0.028 local terms energy: -606.617089 where: bonds (distance) C4'-P energy: -126.037 bonds (distance) P-C4' energy: -121.430 flat angles C4'-P-C4' energy: -135.605 flat angles P-C4'-P energy: -73.697 tors. eta vs tors. theta energy: -149.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2132.601435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.601435 (E_RNA) where: Base-Base interactions energy: -1495.183 where: short stacking energy: -623.594 Base-Backbone interact. energy: -2.863 local terms energy: -634.555729 where: bonds (distance) C4'-P energy: -113.967 bonds (distance) P-C4' energy: -123.170 flat angles C4'-P-C4' energy: -137.851 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: -165.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1877.361629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.361629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.361629 (E_RNA) where: Base-Base interactions energy: -1309.834 where: short stacking energy: -539.313 Base-Backbone interact. energy: 1.097 local terms energy: -568.625164 where: bonds (distance) C4'-P energy: -114.366 bonds (distance) P-C4' energy: -118.798 flat angles C4'-P-C4' energy: -123.291 flat angles P-C4'-P energy: -74.192 tors. eta vs tors. theta energy: -137.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1798.571804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.571804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.571804 (E_RNA) where: Base-Base interactions energy: -1222.149 where: short stacking energy: -541.986 Base-Backbone interact. energy: -0.044 local terms energy: -576.378059 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -118.805 flat angles C4'-P-C4' energy: -128.442 flat angles P-C4'-P energy: -77.779 tors. eta vs tors. theta energy: -130.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1663.875498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.875498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.875498 (E_RNA) where: Base-Base interactions energy: -1120.102 where: short stacking energy: -470.530 Base-Backbone interact. energy: 0.686 local terms energy: -544.460191 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -120.981 flat angles C4'-P-C4' energy: -114.644 flat angles P-C4'-P energy: -84.254 tors. eta vs tors. theta energy: -121.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1711.790934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.790934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.790934 (E_RNA) where: Base-Base interactions energy: -1206.540 where: short stacking energy: -472.807 Base-Backbone interact. energy: 1.406 local terms energy: -506.656867 where: bonds (distance) C4'-P energy: -120.502 bonds (distance) P-C4' energy: -99.638 flat angles C4'-P-C4' energy: -118.409 flat angles P-C4'-P energy: -62.677 tors. eta vs tors. theta energy: -105.431 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: 21 Temperature: 1.200000 Total energy: -1538.398924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.398924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.398924 (E_RNA) where: Base-Base interactions energy: -1073.538 where: short stacking energy: -436.114 Base-Backbone interact. energy: 4.357 local terms energy: -469.218010 where: bonds (distance) C4'-P energy: -107.941 bonds (distance) P-C4' energy: -94.027 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -70.907 tors. eta vs tors. theta energy: -104.761 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: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1492.102646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.102646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.102646 (E_RNA) where: Base-Base interactions energy: -1033.294 where: short stacking energy: -423.926 Base-Backbone interact. energy: -3.189 local terms energy: -455.619341 where: bonds (distance) C4'-P energy: -84.776 bonds (distance) P-C4' energy: -81.005 flat angles C4'-P-C4' energy: -109.244 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -99.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1350.176617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.176617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.176617 (E_RNA) where: Base-Base interactions energy: -916.447 where: short stacking energy: -408.634 Base-Backbone interact. energy: 1.162 local terms energy: -434.892080 where: bonds (distance) C4'-P energy: -109.734 bonds (distance) P-C4' energy: -86.299 flat angles C4'-P-C4' energy: -93.075 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -78.514 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: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1159.735361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.735361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.735361 (E_RNA) where: Base-Base interactions energy: -739.364 where: short stacking energy: -310.831 Base-Backbone interact. energy: -2.445 local terms energy: -417.926793 where: bonds (distance) C4'-P energy: -100.702 bonds (distance) P-C4' energy: -102.309 flat angles C4'-P-C4' energy: -111.904 flat angles P-C4'-P energy: -57.623 tors. eta vs tors. theta energy: -45.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2155.999165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.999165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.999165 (E_RNA) where: Base-Base interactions energy: -1541.598 where: short stacking energy: -598.166 Base-Backbone interact. energy: -1.747 local terms energy: -612.653832 where: bonds (distance) C4'-P energy: -118.849 bonds (distance) P-C4' energy: -130.964 flat angles C4'-P-C4' energy: -124.465 flat angles P-C4'-P energy: -81.720 tors. eta vs tors. theta energy: -156.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2193.556108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.556108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.556108 (E_RNA) where: Base-Base interactions energy: -1545.009 where: short stacking energy: -624.254 Base-Backbone interact. energy: -2.177 local terms energy: -646.369833 where: bonds (distance) C4'-P energy: -132.280 bonds (distance) P-C4' energy: -114.454 flat angles C4'-P-C4' energy: -139.841 flat angles P-C4'-P energy: -91.578 tors. eta vs tors. theta energy: -168.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1952.596979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.596979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.596979 (E_RNA) where: Base-Base interactions energy: -1370.890 where: short stacking energy: -551.962 Base-Backbone interact. energy: -0.088 local terms energy: -581.619602 where: bonds (distance) C4'-P energy: -108.887 bonds (distance) P-C4' energy: -115.666 flat angles C4'-P-C4' energy: -127.827 flat angles P-C4'-P energy: -93.108 tors. eta vs tors. theta energy: -136.131 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: 9 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1821.293050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.293050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.293050 (E_RNA) where: Base-Base interactions energy: -1234.591 where: short stacking energy: -518.945 Base-Backbone interact. energy: -1.109 local terms energy: -585.592673 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -117.620 flat angles C4'-P-C4' energy: -123.318 flat angles P-C4'-P energy: -95.173 tors. eta vs tors. theta energy: -130.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1691.124896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.124896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.124896 (E_RNA) where: Base-Base interactions energy: -1136.010 where: short stacking energy: -482.061 Base-Backbone interact. energy: 0.205 local terms energy: -555.319518 where: bonds (distance) C4'-P energy: -107.467 bonds (distance) P-C4' energy: -120.769 flat angles C4'-P-C4' energy: -128.027 flat angles P-C4'-P energy: -77.231 tors. eta vs tors. theta energy: -121.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1695.750852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.750852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.750852 (E_RNA) where: Base-Base interactions energy: -1199.059 where: short stacking energy: -486.032 Base-Backbone interact. energy: 4.146 local terms energy: -500.837820 where: bonds (distance) C4'-P energy: -107.876 bonds (distance) P-C4' energy: -108.799 flat angles C4'-P-C4' energy: -109.638 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -102.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1565.384413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.384413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.384413 (E_RNA) where: Base-Base interactions energy: -1037.215 where: short stacking energy: -426.405 Base-Backbone interact. energy: -1.718 local terms energy: -526.451736 where: bonds (distance) C4'-P energy: -109.846 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -120.631 flat angles P-C4'-P energy: -74.173 tors. eta vs tors. theta energy: -111.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1512.209342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.209342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.209342 (E_RNA) where: Base-Base interactions energy: -1060.118 where: short stacking energy: -429.878 Base-Backbone interact. energy: -0.532 local terms energy: -451.559276 where: bonds (distance) C4'-P energy: -98.975 bonds (distance) P-C4' energy: -68.361 flat angles C4'-P-C4' energy: -106.737 flat angles P-C4'-P energy: -72.697 tors. eta vs tors. theta energy: -104.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1246.789835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.789835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.789835 (E_RNA) where: Base-Base interactions energy: -816.325 where: short stacking energy: -332.681 Base-Backbone interact. energy: -2.873 local terms energy: -427.591869 where: bonds (distance) C4'-P energy: -103.935 bonds (distance) P-C4' energy: -98.568 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -59.618 tors. eta vs tors. theta energy: -60.397 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: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1242.899559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.899559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.899559 (E_RNA) where: Base-Base interactions energy: -837.271 where: short stacking energy: -339.691 Base-Backbone interact. energy: 0.732 local terms energy: -406.360213 where: bonds (distance) C4'-P energy: -82.153 bonds (distance) P-C4' energy: -98.093 flat angles C4'-P-C4' energy: -95.687 flat angles P-C4'-P energy: -63.715 tors. eta vs tors. theta energy: -66.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2171.707557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.707557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.707557 (E_RNA) where: Base-Base interactions energy: -1557.330 where: short stacking energy: -600.499 Base-Backbone interact. energy: -1.300 local terms energy: -613.078184 where: bonds (distance) C4'-P energy: -127.724 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -122.615 flat angles P-C4'-P energy: -78.731 tors. eta vs tors. theta energy: -151.543 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: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2207.955354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.955354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.955354 (E_RNA) where: Base-Base interactions energy: -1532.551 where: short stacking energy: -647.241 Base-Backbone interact. energy: -1.918 local terms energy: -673.486212 where: bonds (distance) C4'-P energy: -110.956 bonds (distance) P-C4' energy: -138.307 flat angles C4'-P-C4' energy: -140.609 flat angles P-C4'-P energy: -99.506 tors. eta vs tors. theta energy: -184.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2016.716822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.716822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.716822 (E_RNA) where: Base-Base interactions energy: -1409.609 where: short stacking energy: -579.761 Base-Backbone interact. energy: -0.820 local terms energy: -606.287673 where: bonds (distance) C4'-P energy: -120.746 bonds (distance) P-C4' energy: -127.425 flat angles C4'-P-C4' energy: -129.536 flat angles P-C4'-P energy: -89.145 tors. eta vs tors. theta energy: -139.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1861.016186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.016186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.016186 (E_RNA) where: Base-Base interactions energy: -1279.679 where: short stacking energy: -538.047 Base-Backbone interact. energy: 2.443 local terms energy: -583.780335 where: bonds (distance) C4'-P energy: -111.590 bonds (distance) P-C4' energy: -132.257 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: -136.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1723.851980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.851980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.851980 (E_RNA) where: Base-Base interactions energy: -1159.045 where: short stacking energy: -506.927 Base-Backbone interact. energy: 0.826 local terms energy: -565.633557 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -106.727 flat angles C4'-P-C4' energy: -124.981 flat angles P-C4'-P energy: -89.790 tors. eta vs tors. theta energy: -130.867 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: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1691.539734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.539734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.539734 (E_RNA) where: Base-Base interactions energy: -1168.932 where: short stacking energy: -454.508 Base-Backbone interact. energy: -1.774 local terms energy: -520.834621 where: bonds (distance) C4'-P energy: -108.667 bonds (distance) P-C4' energy: -109.713 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -108.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1642.912619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.912619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.912619 (E_RNA) where: Base-Base interactions energy: -1115.972 where: short stacking energy: -461.492 Base-Backbone interact. energy: -1.363 local terms energy: -525.577340 where: bonds (distance) C4'-P energy: -103.460 bonds (distance) P-C4' energy: -106.778 flat angles C4'-P-C4' energy: -126.111 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -115.247 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: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1538.608964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.608964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.608964 (E_RNA) where: Base-Base interactions energy: -1057.308 where: short stacking energy: -440.335 Base-Backbone interact. energy: 0.373 local terms energy: -481.674118 where: bonds (distance) C4'-P energy: -102.392 bonds (distance) P-C4' energy: -105.439 flat angles C4'-P-C4' energy: -120.207 flat angles P-C4'-P energy: -56.865 tors. eta vs tors. theta energy: -96.772 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: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1290.316030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.316030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.316030 (E_RNA) where: Base-Base interactions energy: -832.084 where: short stacking energy: -343.390 Base-Backbone interact. energy: -3.231 local terms energy: -455.001287 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -98.697 flat angles C4'-P-C4' energy: -106.491 flat angles P-C4'-P energy: -63.800 tors. eta vs tors. theta energy: -71.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1322.370119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.370119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.370119 (E_RNA) where: Base-Base interactions energy: -900.944 where: short stacking energy: -370.685 Base-Backbone interact. energy: -1.943 local terms energy: -419.482281 where: bonds (distance) C4'-P energy: -89.036 bonds (distance) P-C4' energy: -93.126 flat angles C4'-P-C4' energy: -108.268 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -72.331 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: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2202.853370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.853370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.853370 (E_RNA) where: Base-Base interactions energy: -1578.294 where: short stacking energy: -610.578 Base-Backbone interact. energy: -1.719 local terms energy: -622.839872 where: bonds (distance) C4'-P energy: -132.428 bonds (distance) P-C4' energy: -116.205 flat angles C4'-P-C4' energy: -136.602 flat angles P-C4'-P energy: -75.540 tors. eta vs tors. theta energy: -162.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2212.504768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.504768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.504768 (E_RNA) where: Base-Base interactions energy: -1543.503 where: short stacking energy: -637.758 Base-Backbone interact. energy: -1.497 local terms energy: -667.504005 where: bonds (distance) C4'-P energy: -125.249 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -142.651 flat angles P-C4'-P energy: -100.569 tors. eta vs tors. theta energy: -176.548 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2056.627841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.627841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.627841 (E_RNA) where: Base-Base interactions energy: -1444.029 where: short stacking energy: -609.252 Base-Backbone interact. energy: 0.188 local terms energy: -612.787208 where: bonds (distance) C4'-P energy: -118.121 bonds (distance) P-C4' energy: -116.424 flat angles C4'-P-C4' energy: -129.980 flat angles P-C4'-P energy: -88.404 tors. eta vs tors. theta energy: -159.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1836.344591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.344591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.344591 (E_RNA) where: Base-Base interactions energy: -1266.162 where: short stacking energy: -527.395 Base-Backbone interact. energy: 0.068 local terms energy: -570.250881 where: bonds (distance) C4'-P energy: -118.662 bonds (distance) P-C4' energy: -120.072 flat angles C4'-P-C4' energy: -114.479 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -126.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1804.979818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.979818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.979818 (E_RNA) where: Base-Base interactions energy: -1258.703 where: short stacking energy: -511.244 Base-Backbone interact. energy: -0.463 local terms energy: -545.814226 where: bonds (distance) C4'-P energy: -108.982 bonds (distance) P-C4' energy: -118.752 flat angles C4'-P-C4' energy: -127.812 flat angles P-C4'-P energy: -69.462 tors. eta vs tors. theta energy: -120.807 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: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1614.963743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.963743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.963743 (E_RNA) where: Base-Base interactions energy: -1105.554 where: short stacking energy: -458.906 Base-Backbone interact. energy: -1.879 local terms energy: -507.530122 where: bonds (distance) C4'-P energy: -96.678 bonds (distance) P-C4' energy: -104.945 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -83.865 tors. eta vs tors. theta energy: -115.224 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: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1573.801815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.801815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.801815 (E_RNA) where: Base-Base interactions energy: -1051.488 where: short stacking energy: -457.002 Base-Backbone interact. energy: 0.197 local terms energy: -522.510906 where: bonds (distance) C4'-P energy: -103.949 bonds (distance) P-C4' energy: -111.254 flat angles C4'-P-C4' energy: -116.176 flat angles P-C4'-P energy: -78.825 tors. eta vs tors. theta energy: -112.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1651.913028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.913028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.913028 (E_RNA) where: Base-Base interactions energy: -1100.568 where: short stacking energy: -440.838 Base-Backbone interact. energy: 4.394 local terms energy: -555.738564 where: bonds (distance) C4'-P energy: -113.231 bonds (distance) P-C4' energy: -108.329 flat angles C4'-P-C4' energy: -123.391 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -115.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1390.169350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.169350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.169350 (E_RNA) where: Base-Base interactions energy: -935.040 where: short stacking energy: -408.549 Base-Backbone interact. energy: -4.177 local terms energy: -450.953069 where: bonds (distance) C4'-P energy: -96.557 bonds (distance) P-C4' energy: -95.905 flat angles C4'-P-C4' energy: -105.960 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -78.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1214.343990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.343990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.343990 (E_RNA) where: Base-Base interactions energy: -821.722 where: short stacking energy: -339.653 Base-Backbone interact. energy: -1.330 local terms energy: -391.291973 where: bonds (distance) C4'-P energy: -94.894 bonds (distance) P-C4' energy: -80.375 flat angles C4'-P-C4' energy: -100.938 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -67.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2194.202070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.202070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.202070 (E_RNA) where: Base-Base interactions energy: -1548.073 where: short stacking energy: -606.942 Base-Backbone interact. energy: -1.430 local terms energy: -644.699087 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -122.305 flat angles C4'-P-C4' energy: -138.782 flat angles P-C4'-P energy: -92.168 tors. eta vs tors. theta energy: -167.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2232.771479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.771479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.771479 (E_RNA) where: Base-Base interactions energy: -1595.444 where: short stacking energy: -667.533 Base-Backbone interact. energy: -0.507 local terms energy: -636.820494 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -112.205 flat angles C4'-P-C4' energy: -148.823 flat angles P-C4'-P energy: -89.033 tors. eta vs tors. theta energy: -177.548 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: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2017.422150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.422150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.422150 (E_RNA) where: Base-Base interactions energy: -1433.910 where: short stacking energy: -589.284 Base-Backbone interact. energy: 2.109 local terms energy: -585.620780 where: bonds (distance) C4'-P energy: -110.574 bonds (distance) P-C4' energy: -108.157 flat angles C4'-P-C4' energy: -133.642 flat angles P-C4'-P energy: -85.899 tors. eta vs tors. theta energy: -147.348 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: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1902.829555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.829555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.829555 (E_RNA) where: Base-Base interactions energy: -1294.429 where: short stacking energy: -541.694 Base-Backbone interact. energy: -3.717 local terms energy: -604.683398 where: bonds (distance) C4'-P energy: -110.428 bonds (distance) P-C4' energy: -119.076 flat angles C4'-P-C4' energy: -142.297 flat angles P-C4'-P energy: -92.447 tors. eta vs tors. theta energy: -140.436 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: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1814.585703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.585703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.585703 (E_RNA) where: Base-Base interactions energy: -1265.124 where: short stacking energy: -488.842 Base-Backbone interact. energy: 0.537 local terms energy: -549.998706 where: bonds (distance) C4'-P energy: -112.591 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -133.204 flat angles P-C4'-P energy: -66.911 tors. eta vs tors. theta energy: -114.160 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: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1714.166181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.166181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.166181 (E_RNA) where: Base-Base interactions energy: -1166.685 where: short stacking energy: -468.423 Base-Backbone interact. energy: 0.233 local terms energy: -547.714432 where: bonds (distance) C4'-P energy: -104.735 bonds (distance) P-C4' energy: -124.841 flat angles C4'-P-C4' energy: -126.974 flat angles P-C4'-P energy: -74.896 tors. eta vs tors. theta energy: -116.269 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1581.723820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.723820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.723820 (E_RNA) where: Base-Base interactions energy: -1103.345 where: short stacking energy: -438.764 Base-Backbone interact. energy: -1.081 local terms energy: -477.298580 where: bonds (distance) C4'-P energy: -91.399 bonds (distance) P-C4' energy: -103.393 flat angles C4'-P-C4' energy: -116.355 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -102.355 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: 25 Temperature: 1.250000 Total energy: -1527.807280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.807280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.807280 (E_RNA) where: Base-Base interactions energy: -1045.637 where: short stacking energy: -423.395 Base-Backbone interact. energy: 1.827 local terms energy: -483.996830 where: bonds (distance) C4'-P energy: -79.867 bonds (distance) P-C4' energy: -103.278 flat angles C4'-P-C4' energy: -117.708 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -104.231 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: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1411.774284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.774284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.774284 (E_RNA) where: Base-Base interactions energy: -943.762 where: short stacking energy: -403.720 Base-Backbone interact. energy: 1.878 local terms energy: -469.890272 where: bonds (distance) C4'-P energy: -100.679 bonds (distance) P-C4' energy: -109.479 flat angles C4'-P-C4' energy: -111.411 flat angles P-C4'-P energy: -63.199 tors. eta vs tors. theta energy: -85.123 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: 25 Temperature: 1.350000 Total energy: -1181.205134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.205134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.205134 (E_RNA) where: Base-Base interactions energy: -783.346 where: short stacking energy: -325.437 Base-Backbone interact. energy: 0.620 local terms energy: -398.478411 where: bonds (distance) C4'-P energy: -97.828 bonds (distance) P-C4' energy: -88.361 flat angles C4'-P-C4' energy: -95.720 flat angles P-C4'-P energy: -63.816 tors. eta vs tors. theta energy: -52.754 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2269.650927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.650927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.650927 (E_RNA) where: Base-Base interactions energy: -1610.087 where: short stacking energy: -660.951 Base-Backbone interact. energy: -1.750 local terms energy: -657.813595 where: bonds (distance) C4'-P energy: -114.619 bonds (distance) P-C4' energy: -128.396 flat angles C4'-P-C4' energy: -141.311 flat angles P-C4'-P energy: -96.057 tors. eta vs tors. theta energy: -177.431 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: 2, replica: 10 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2139.393121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.393121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.393121 (E_RNA) where: Base-Base interactions energy: -1512.775 where: short stacking energy: -605.220 Base-Backbone interact. energy: -3.210 local terms energy: -623.407738 where: bonds (distance) C4'-P energy: -123.895 bonds (distance) P-C4' energy: -126.667 flat angles C4'-P-C4' energy: -135.160 flat angles P-C4'-P energy: -85.522 tors. eta vs tors. theta energy: -152.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2082.222138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.222138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.222138 (E_RNA) where: Base-Base interactions energy: -1476.414 where: short stacking energy: -601.559 Base-Backbone interact. energy: -3.877 local terms energy: -601.931331 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -120.426 flat angles C4'-P-C4' energy: -131.597 flat angles P-C4'-P energy: -70.590 tors. eta vs tors. theta energy: -161.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1889.949652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.949652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.949652 (E_RNA) where: Base-Base interactions energy: -1314.319 where: short stacking energy: -534.489 Base-Backbone interact. energy: -0.781 local terms energy: -574.849839 where: bonds (distance) C4'-P energy: -102.481 bonds (distance) P-C4' energy: -114.423 flat angles C4'-P-C4' energy: -136.771 flat angles P-C4'-P energy: -75.831 tors. eta vs tors. theta energy: -145.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1844.467085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.467085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.467085 (E_RNA) where: Base-Base interactions energy: -1291.707 where: short stacking energy: -528.833 Base-Backbone interact. energy: 4.446 local terms energy: -557.206039 where: bonds (distance) C4'-P energy: -111.075 bonds (distance) P-C4' energy: -131.280 flat angles C4'-P-C4' energy: -122.542 flat angles P-C4'-P energy: -69.677 tors. eta vs tors. theta energy: -122.633 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: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1706.557195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.557195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.557195 (E_RNA) where: Base-Base interactions energy: -1167.324 where: short stacking energy: -492.093 Base-Backbone interact. energy: -1.178 local terms energy: -538.054802 where: bonds (distance) C4'-P energy: -127.750 bonds (distance) P-C4' energy: -102.504 flat angles C4'-P-C4' energy: -114.800 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -115.643 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: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1682.768892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.768892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.768892 (E_RNA) where: Base-Base interactions energy: -1158.971 where: short stacking energy: -471.514 Base-Backbone interact. energy: 0.033 local terms energy: -523.831422 where: bonds (distance) C4'-P energy: -104.515 bonds (distance) P-C4' energy: -108.775 flat angles C4'-P-C4' energy: -114.910 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -117.554 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: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1577.493184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.493184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.493184 (E_RNA) where: Base-Base interactions energy: -1079.780 where: short stacking energy: -444.926 Base-Backbone interact. energy: 0.696 local terms energy: -498.409572 where: bonds (distance) C4'-P energy: -102.283 bonds (distance) P-C4' energy: -113.873 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -57.243 tors. eta vs tors. theta energy: -114.075 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: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1488.192458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.192458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.192458 (E_RNA) where: Base-Base interactions energy: -1014.968 where: short stacking energy: -405.343 Base-Backbone interact. energy: 2.996 local terms energy: -476.220852 where: bonds (distance) C4'-P energy: -95.344 bonds (distance) P-C4' energy: -102.490 flat angles C4'-P-C4' energy: -112.584 flat angles P-C4'-P energy: -72.544 tors. eta vs tors. theta energy: -93.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1108.228131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.228131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.228131 (E_RNA) where: Base-Base interactions energy: -705.740 where: short stacking energy: -302.899 Base-Backbone interact. energy: 3.860 local terms energy: -406.348328 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -103.033 flat angles C4'-P-C4' energy: -87.608 flat angles P-C4'-P energy: -63.716 tors. eta vs tors. theta energy: -49.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2289.278667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.278667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.278667 (E_RNA) where: Base-Base interactions energy: -1618.929 where: short stacking energy: -648.209 Base-Backbone interact. energy: -2.904 local terms energy: -667.446211 where: bonds (distance) C4'-P energy: -119.703 bonds (distance) P-C4' energy: -131.477 flat angles C4'-P-C4' energy: -148.055 flat angles P-C4'-P energy: -88.609 tors. eta vs tors. theta energy: -179.602 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: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2136.487893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.487893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.487893 (E_RNA) where: Base-Base interactions energy: -1534.537 where: short stacking energy: -589.334 Base-Backbone interact. energy: 1.523 local terms energy: -603.473954 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -108.358 flat angles C4'-P-C4' energy: -139.024 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -145.170 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: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2087.085235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.085235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.085235 (E_RNA) where: Base-Base interactions energy: -1466.153 where: short stacking energy: -597.922 Base-Backbone interact. energy: -1.898 local terms energy: -619.035033 where: bonds (distance) C4'-P energy: -122.350 bonds (distance) P-C4' energy: -121.858 flat angles C4'-P-C4' energy: -141.380 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -143.535 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: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1931.073915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.073915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.073915 (E_RNA) where: Base-Base interactions energy: -1325.306 where: short stacking energy: -545.956 Base-Backbone interact. energy: -2.061 local terms energy: -603.707648 where: bonds (distance) C4'-P energy: -118.426 bonds (distance) P-C4' energy: -115.621 flat angles C4'-P-C4' energy: -133.463 flat angles P-C4'-P energy: -96.980 tors. eta vs tors. theta energy: -139.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1864.510014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.510014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.510014 (E_RNA) where: Base-Base interactions energy: -1283.875 where: short stacking energy: -497.929 Base-Backbone interact. energy: -1.649 local terms energy: -578.985933 where: bonds (distance) C4'-P energy: -110.536 bonds (distance) P-C4' energy: -115.593 flat angles C4'-P-C4' energy: -125.702 flat angles P-C4'-P energy: -97.782 tors. eta vs tors. theta energy: -129.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1743.903736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.903736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.903736 (E_RNA) where: Base-Base interactions energy: -1212.257 where: short stacking energy: -512.763 Base-Backbone interact. energy: 3.893 local terms energy: -535.539500 where: bonds (distance) C4'-P energy: -99.993 bonds (distance) P-C4' energy: -91.369 flat angles C4'-P-C4' energy: -129.201 flat angles P-C4'-P energy: -73.526 tors. eta vs tors. theta energy: -141.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1653.232026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.232026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.232026 (E_RNA) where: Base-Base interactions energy: -1142.376 where: short stacking energy: -479.541 Base-Backbone interact. energy: -3.181 local terms energy: -507.674924 where: bonds (distance) C4'-P energy: -92.418 bonds (distance) P-C4' energy: -112.338 flat angles C4'-P-C4' energy: -110.031 flat angles P-C4'-P energy: -80.716 tors. eta vs tors. theta energy: -112.172 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: 27 Temperature: 1.250000 Total energy: -1640.504035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.504035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.504035 (E_RNA) where: Base-Base interactions energy: -1141.752 where: short stacking energy: -470.409 Base-Backbone interact. energy: 3.121 local terms energy: -501.872948 where: bonds (distance) C4'-P energy: -93.039 bonds (distance) P-C4' energy: -87.907 flat angles C4'-P-C4' energy: -116.210 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -127.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1525.601158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.601158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.601158 (E_RNA) where: Base-Base interactions energy: -1063.203 where: short stacking energy: -427.619 Base-Backbone interact. energy: -1.210 local terms energy: -461.187875 where: bonds (distance) C4'-P energy: -91.002 bonds (distance) P-C4' energy: -83.489 flat angles C4'-P-C4' energy: -110.722 flat angles P-C4'-P energy: -74.792 tors. eta vs tors. theta energy: -101.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1142.029797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.029797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.029797 (E_RNA) where: Base-Base interactions energy: -750.897 where: short stacking energy: -329.012 Base-Backbone interact. energy: -2.428 local terms energy: -388.704545 where: bonds (distance) C4'-P energy: -93.318 bonds (distance) P-C4' energy: -87.605 flat angles C4'-P-C4' energy: -110.382 flat angles P-C4'-P energy: -46.380 tors. eta vs tors. theta energy: -51.020 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: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2304.334849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.334849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.334849 (E_RNA) where: Base-Base interactions energy: -1615.792 where: short stacking energy: -662.847 Base-Backbone interact. energy: -4.074 local terms energy: -684.469214 where: bonds (distance) C4'-P energy: -125.026 bonds (distance) P-C4' energy: -134.419 flat angles C4'-P-C4' energy: -142.542 flat angles P-C4'-P energy: -105.434 tors. eta vs tors. theta energy: -177.049 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: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2179.951004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.951004 (E_RNA) where: Base-Base interactions energy: -1552.282 where: short stacking energy: -613.394 Base-Backbone interact. energy: -0.828 local terms energy: -626.840123 where: bonds (distance) C4'-P energy: -130.857 bonds (distance) P-C4' energy: -119.833 flat angles C4'-P-C4' energy: -132.201 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -165.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2108.919027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.919027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.919027 (E_RNA) where: Base-Base interactions energy: -1497.067 where: short stacking energy: -604.860 Base-Backbone interact. energy: -2.639 local terms energy: -609.213148 where: bonds (distance) C4'-P energy: -122.558 bonds (distance) P-C4' energy: -129.567 flat angles C4'-P-C4' energy: -125.408 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -153.575 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: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1941.558096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.558096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.558096 (E_RNA) where: Base-Base interactions energy: -1344.619 where: short stacking energy: -556.311 Base-Backbone interact. energy: -0.676 local terms energy: -596.263108 where: bonds (distance) C4'-P energy: -109.556 bonds (distance) P-C4' energy: -120.025 flat angles C4'-P-C4' energy: -139.344 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -151.530 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: 28 Temperature: 1.100000 Total energy: -1908.355697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.355697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.355697 (E_RNA) where: Base-Base interactions energy: -1325.205 where: short stacking energy: -526.455 Base-Backbone interact. energy: 0.747 local terms energy: -583.898385 where: bonds (distance) C4'-P energy: -115.523 bonds (distance) P-C4' energy: -110.479 flat angles C4'-P-C4' energy: -134.584 flat angles P-C4'-P energy: -88.412 tors. eta vs tors. theta energy: -134.901 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: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1880.723190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.723190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.723190 (E_RNA) where: Base-Base interactions energy: -1336.924 where: short stacking energy: -559.442 Base-Backbone interact. energy: -1.888 local terms energy: -541.910709 where: bonds (distance) C4'-P energy: -93.455 bonds (distance) P-C4' energy: -108.900 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -139.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1677.015943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.015943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.015943 (E_RNA) where: Base-Base interactions energy: -1154.118 where: short stacking energy: -491.056 Base-Backbone interact. energy: 3.601 local terms energy: -526.498837 where: bonds (distance) C4'-P energy: -101.884 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -119.372 flat angles P-C4'-P energy: -76.733 tors. eta vs tors. theta energy: -129.672 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: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1579.323654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.323654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.323654 (E_RNA) where: Base-Base interactions energy: -1104.321 where: short stacking energy: -456.012 Base-Backbone interact. energy: 1.149 local terms energy: -476.151709 where: bonds (distance) C4'-P energy: -112.170 bonds (distance) P-C4' energy: -113.166 flat angles C4'-P-C4' energy: -96.081 flat angles P-C4'-P energy: -61.794 tors. eta vs tors. theta energy: -92.941 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: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1512.185071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.185071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.185071 (E_RNA) where: Base-Base interactions energy: -1045.841 where: short stacking energy: -427.696 Base-Backbone interact. energy: 5.335 local terms energy: -471.678593 where: bonds (distance) C4'-P energy: -103.259 bonds (distance) P-C4' energy: -93.025 flat angles C4'-P-C4' energy: -94.051 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -111.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1211.488725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.488725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.488725 (E_RNA) where: Base-Base interactions energy: -781.269 where: short stacking energy: -342.593 Base-Backbone interact. energy: -2.149 local terms energy: -428.070968 where: bonds (distance) C4'-P energy: -85.604 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -104.861 flat angles P-C4'-P energy: -63.899 tors. eta vs tors. theta energy: -61.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2283.315323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.315323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.315323 (E_RNA) where: Base-Base interactions energy: -1614.945 where: short stacking energy: -653.972 Base-Backbone interact. energy: -2.004 local terms energy: -666.365655 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -135.236 flat angles C4'-P-C4' energy: -130.615 flat angles P-C4'-P energy: -87.484 tors. eta vs tors. theta energy: -176.565 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: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2159.133025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.133025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.133025 (E_RNA) where: Base-Base interactions energy: -1530.782 where: short stacking energy: -613.016 Base-Backbone interact. energy: -3.238 local terms energy: -625.112239 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -115.810 flat angles C4'-P-C4' energy: -135.542 flat angles P-C4'-P energy: -93.092 tors. eta vs tors. theta energy: -163.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2090.332564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.332564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.332564 (E_RNA) where: Base-Base interactions energy: -1492.402 where: short stacking energy: -579.660 Base-Backbone interact. energy: -2.532 local terms energy: -595.398916 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -127.421 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -62.524 tors. eta vs tors. theta energy: -148.768 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: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1940.033275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.033275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.033275 (E_RNA) where: Base-Base interactions energy: -1346.423 where: short stacking energy: -549.135 Base-Backbone interact. energy: -1.112 local terms energy: -592.498704 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -123.706 flat angles C4'-P-C4' energy: -126.426 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -145.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1914.746743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.746743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.746743 (E_RNA) where: Base-Base interactions energy: -1360.440 where: short stacking energy: -553.528 Base-Backbone interact. energy: -2.220 local terms energy: -552.086769 where: bonds (distance) C4'-P energy: -114.833 bonds (distance) P-C4' energy: -101.975 flat angles C4'-P-C4' energy: -134.612 flat angles P-C4'-P energy: -68.280 tors. eta vs tors. theta energy: -132.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1871.927724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.927724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.927724 (E_RNA) where: Base-Base interactions energy: -1297.560 where: short stacking energy: -536.343 Base-Backbone interact. energy: 2.166 local terms energy: -576.534557 where: bonds (distance) C4'-P energy: -118.901 bonds (distance) P-C4' energy: -122.428 flat angles C4'-P-C4' energy: -119.764 flat angles P-C4'-P energy: -75.124 tors. eta vs tors. theta energy: -140.317 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: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1720.799898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.799898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.799898 (E_RNA) where: Base-Base interactions energy: -1170.712 where: short stacking energy: -488.049 Base-Backbone interact. energy: -2.960 local terms energy: -547.127573 where: bonds (distance) C4'-P energy: -91.689 bonds (distance) P-C4' energy: -119.392 flat angles C4'-P-C4' energy: -124.839 flat angles P-C4'-P energy: -83.285 tors. eta vs tors. theta energy: -127.922 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: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1547.044289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.044289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.044289 (E_RNA) where: Base-Base interactions energy: -1036.632 where: short stacking energy: -413.299 Base-Backbone interact. energy: -0.369 local terms energy: -510.043393 where: bonds (distance) C4'-P energy: -103.533 bonds (distance) P-C4' energy: -107.211 flat angles C4'-P-C4' energy: -123.009 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -101.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1480.953290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.953290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.953290 (E_RNA) where: Base-Base interactions energy: -1016.013 where: short stacking energy: -423.098 Base-Backbone interact. energy: 2.708 local terms energy: -467.648309 where: bonds (distance) C4'-P energy: -88.975 bonds (distance) P-C4' energy: -90.284 flat angles C4'-P-C4' energy: -111.836 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -109.471 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: 3 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -1222.301907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.301907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.301907 (E_RNA) where: Base-Base interactions energy: -789.903 where: short stacking energy: -337.072 Base-Backbone interact. energy: 5.149 local terms energy: -437.547730 where: bonds (distance) C4'-P energy: -93.025 bonds (distance) P-C4' energy: -101.898 flat angles C4'-P-C4' energy: -105.697 flat angles P-C4'-P energy: -67.703 tors. eta vs tors. theta energy: -69.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2228.469768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.469768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.469768 (E_RNA) where: Base-Base interactions energy: -1577.232 where: short stacking energy: -616.169 Base-Backbone interact. energy: -5.418 local terms energy: -645.819606 where: bonds (distance) C4'-P energy: -127.216 bonds (distance) P-C4' energy: -131.140 flat angles C4'-P-C4' energy: -134.560 flat angles P-C4'-P energy: -91.412 tors. eta vs tors. theta energy: -161.492 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: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2223.555169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.555169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.555169 (E_RNA) where: Base-Base interactions energy: -1584.906 where: short stacking energy: -649.709 Base-Backbone interact. energy: 1.254 local terms energy: -639.902594 where: bonds (distance) C4'-P energy: -101.500 bonds (distance) P-C4' energy: -114.891 flat angles C4'-P-C4' energy: -144.143 flat angles P-C4'-P energy: -105.023 tors. eta vs tors. theta energy: -174.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2100.415956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.415956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.415956 (E_RNA) where: Base-Base interactions energy: -1510.281 where: short stacking energy: -588.219 Base-Backbone interact. energy: -3.258 local terms energy: -586.877206 where: bonds (distance) C4'-P energy: -114.385 bonds (distance) P-C4' energy: -117.196 flat angles C4'-P-C4' energy: -121.150 flat angles P-C4'-P energy: -79.658 tors. eta vs tors. theta energy: -154.488 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: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1973.018994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.018994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.018994 (E_RNA) where: Base-Base interactions energy: -1366.431 where: short stacking energy: -565.293 Base-Backbone interact. energy: -3.165 local terms energy: -603.423266 where: bonds (distance) C4'-P energy: -107.164 bonds (distance) P-C4' energy: -115.090 flat angles C4'-P-C4' energy: -132.943 flat angles P-C4'-P energy: -91.336 tors. eta vs tors. theta energy: -156.889 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: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1965.706011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.706011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.706011 (E_RNA) where: Base-Base interactions energy: -1386.775 where: short stacking energy: -556.130 Base-Backbone interact. energy: -1.938 local terms energy: -576.993599 where: bonds (distance) C4'-P energy: -112.154 bonds (distance) P-C4' energy: -108.160 flat angles C4'-P-C4' energy: -127.407 flat angles P-C4'-P energy: -85.153 tors. eta vs tors. theta energy: -144.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1853.110025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.110025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.110025 (E_RNA) where: Base-Base interactions energy: -1269.091 where: short stacking energy: -516.671 Base-Backbone interact. energy: -2.083 local terms energy: -581.936013 where: bonds (distance) C4'-P energy: -109.585 bonds (distance) P-C4' energy: -101.698 flat angles C4'-P-C4' energy: -130.263 flat angles P-C4'-P energy: -86.555 tors. eta vs tors. theta energy: -153.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1723.255478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.255478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.255478 (E_RNA) where: Base-Base interactions energy: -1200.272 where: short stacking energy: -483.578 Base-Backbone interact. energy: -2.079 local terms energy: -520.904700 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -107.886 flat angles C4'-P-C4' energy: -119.511 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -123.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1512.177600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.177600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.177600 (E_RNA) where: Base-Base interactions energy: -1053.147 where: short stacking energy: -443.776 Base-Backbone interact. energy: 2.977 local terms energy: -462.008195 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -110.345 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -115.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1479.610331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.610331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.610331 (E_RNA) where: Base-Base interactions energy: -992.199 where: short stacking energy: -401.358 Base-Backbone interact. energy: -1.736 local terms energy: -485.674859 where: bonds (distance) C4'-P energy: -103.910 bonds (distance) P-C4' energy: -116.935 flat angles C4'-P-C4' energy: -122.174 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -78.361 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: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1315.791197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.791197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.791197 (E_RNA) where: Base-Base interactions energy: -878.967 where: short stacking energy: -385.969 Base-Backbone interact. energy: -2.328 local terms energy: -434.495914 where: bonds (distance) C4'-P energy: -88.349 bonds (distance) P-C4' energy: -117.642 flat angles C4'-P-C4' energy: -91.746 flat angles P-C4'-P energy: -58.917 tors. eta vs tors. theta energy: -77.842 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: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2255.746909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.746909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.746909 (E_RNA) where: Base-Base interactions energy: -1593.760 where: short stacking energy: -637.886 Base-Backbone interact. energy: 2.493 local terms energy: -664.479908 where: bonds (distance) C4'-P energy: -124.380 bonds (distance) P-C4' energy: -127.862 flat angles C4'-P-C4' energy: -142.919 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -167.324 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: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2262.569118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.569118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.569118 (E_RNA) where: Base-Base interactions energy: -1604.924 where: short stacking energy: -656.242 Base-Backbone interact. energy: -3.541 local terms energy: -654.103889 where: bonds (distance) C4'-P energy: -117.398 bonds (distance) P-C4' energy: -118.127 flat angles C4'-P-C4' energy: -137.398 flat angles P-C4'-P energy: -97.720 tors. eta vs tors. theta energy: -183.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2123.790822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.790822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.790822 (E_RNA) where: Base-Base interactions energy: -1508.483 where: short stacking energy: -560.142 Base-Backbone interact. energy: -0.836 local terms energy: -614.471947 where: bonds (distance) C4'-P energy: -133.666 bonds (distance) P-C4' energy: -117.434 flat angles C4'-P-C4' energy: -145.451 flat angles P-C4'-P energy: -67.550 tors. eta vs tors. theta energy: -150.371 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: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1980.878438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.878438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.878438 (E_RNA) where: Base-Base interactions energy: -1358.563 where: short stacking energy: -566.800 Base-Backbone interact. energy: -2.083 local terms energy: -620.232576 where: bonds (distance) C4'-P energy: -108.713 bonds (distance) P-C4' energy: -124.907 flat angles C4'-P-C4' energy: -137.884 flat angles P-C4'-P energy: -95.648 tors. eta vs tors. theta energy: -153.080 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: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1943.470087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.470087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.470087 (E_RNA) where: Base-Base interactions energy: -1363.044 where: short stacking energy: -554.221 Base-Backbone interact. energy: 4.306 local terms energy: -584.731759 where: bonds (distance) C4'-P energy: -109.450 bonds (distance) P-C4' energy: -110.879 flat angles C4'-P-C4' energy: -116.592 flat angles P-C4'-P energy: -88.106 tors. eta vs tors. theta energy: -159.704 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: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1829.438269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.438269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.438269 (E_RNA) where: Base-Base interactions energy: -1278.911 where: short stacking energy: -541.026 Base-Backbone interact. energy: -1.522 local terms energy: -549.005100 where: bonds (distance) C4'-P energy: -92.046 bonds (distance) P-C4' energy: -112.753 flat angles C4'-P-C4' energy: -125.781 flat angles P-C4'-P energy: -72.009 tors. eta vs tors. theta energy: -146.417 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: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1847.145847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.145847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.145847 (E_RNA) where: Base-Base interactions energy: -1288.695 where: short stacking energy: -518.367 Base-Backbone interact. energy: -1.592 local terms energy: -556.859236 where: bonds (distance) C4'-P energy: -107.375 bonds (distance) P-C4' energy: -112.025 flat angles C4'-P-C4' energy: -117.626 flat angles P-C4'-P energy: -80.150 tors. eta vs tors. theta energy: -139.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1583.648360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.648360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.648360 (E_RNA) where: Base-Base interactions energy: -1090.802 where: short stacking energy: -455.081 Base-Backbone interact. energy: -0.604 local terms energy: -492.242450 where: bonds (distance) C4'-P energy: -101.512 bonds (distance) P-C4' energy: -107.323 flat angles C4'-P-C4' energy: -107.365 flat angles P-C4'-P energy: -66.072 tors. eta vs tors. theta energy: -109.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1403.273808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.273808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.273808 (E_RNA) where: Base-Base interactions energy: -926.838 where: short stacking energy: -387.833 Base-Backbone interact. energy: 1.787 local terms energy: -478.222395 where: bonds (distance) C4'-P energy: -102.106 bonds (distance) P-C4' energy: -100.493 flat angles C4'-P-C4' energy: -116.413 flat angles P-C4'-P energy: -64.068 tors. eta vs tors. theta energy: -95.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1213.343008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.343008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.343008 (E_RNA) where: Base-Base interactions energy: -787.764 where: short stacking energy: -345.959 Base-Backbone interact. energy: -0.307 local terms energy: -425.271351 where: bonds (distance) C4'-P energy: -86.833 bonds (distance) P-C4' energy: -105.615 flat angles C4'-P-C4' energy: -101.883 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: -61.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2328.356429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.356429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.356429 (E_RNA) where: Base-Base interactions energy: -1641.093 where: short stacking energy: -672.010 Base-Backbone interact. energy: -3.351 local terms energy: -683.912566 where: bonds (distance) C4'-P energy: -121.120 bonds (distance) P-C4' energy: -127.074 flat angles C4'-P-C4' energy: -150.533 flat angles P-C4'-P energy: -89.699 tors. eta vs tors. theta energy: -195.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2203.841977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.841977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.841977 (E_RNA) where: Base-Base interactions energy: -1553.936 where: short stacking energy: -611.769 Base-Backbone interact. energy: -3.020 local terms energy: -646.886087 where: bonds (distance) C4'-P energy: -111.750 bonds (distance) P-C4' energy: -131.859 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -91.019 tors. eta vs tors. theta energy: -171.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2118.823169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.823169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.823169 (E_RNA) where: Base-Base interactions energy: -1490.510 where: short stacking energy: -590.749 Base-Backbone interact. energy: -3.282 local terms energy: -625.031251 where: bonds (distance) C4'-P energy: -134.588 bonds (distance) P-C4' energy: -105.851 flat angles C4'-P-C4' energy: -128.850 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -154.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2006.248201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.248201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.248201 (E_RNA) where: Base-Base interactions energy: -1431.423 where: short stacking energy: -565.483 Base-Backbone interact. energy: -2.296 local terms energy: -572.529824 where: bonds (distance) C4'-P energy: -109.751 bonds (distance) P-C4' energy: -123.915 flat angles C4'-P-C4' energy: -119.458 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -148.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1900.588614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.588614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.588614 (E_RNA) where: Base-Base interactions energy: -1329.853 where: short stacking energy: -546.824 Base-Backbone interact. energy: 0.016 local terms energy: -570.751968 where: bonds (distance) C4'-P energy: -106.685 bonds (distance) P-C4' energy: -111.754 flat angles C4'-P-C4' energy: -130.469 flat angles P-C4'-P energy: -92.899 tors. eta vs tors. theta energy: -128.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1914.759647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.759647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.759647 (E_RNA) where: Base-Base interactions energy: -1359.154 where: short stacking energy: -522.341 Base-Backbone interact. energy: 1.922 local terms energy: -557.528295 where: bonds (distance) C4'-P energy: -99.622 bonds (distance) P-C4' energy: -120.966 flat angles C4'-P-C4' energy: -116.114 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -138.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1845.630706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.630706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.630706 (E_RNA) where: Base-Base interactions energy: -1309.032 where: short stacking energy: -521.659 Base-Backbone interact. energy: -0.167 local terms energy: -536.431986 where: bonds (distance) C4'-P energy: -83.506 bonds (distance) P-C4' energy: -101.374 flat angles C4'-P-C4' energy: -118.185 flat angles P-C4'-P energy: -83.058 tors. eta vs tors. theta energy: -150.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1614.947459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.947459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.947459 (E_RNA) where: Base-Base interactions energy: -1156.659 where: short stacking energy: -467.195 Base-Backbone interact. energy: 1.692 local terms energy: -459.980245 where: bonds (distance) C4'-P energy: -83.667 bonds (distance) P-C4' energy: -106.854 flat angles C4'-P-C4' energy: -89.070 flat angles P-C4'-P energy: -76.415 tors. eta vs tors. theta energy: -103.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1323.576137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.576137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.576137 (E_RNA) where: Base-Base interactions energy: -909.022 where: short stacking energy: -359.994 Base-Backbone interact. energy: 7.916 local terms energy: -422.470155 where: bonds (distance) C4'-P energy: -89.005 bonds (distance) P-C4' energy: -96.679 flat angles C4'-P-C4' energy: -94.742 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: -75.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1328.979188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.979188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.979188 (E_RNA) where: Base-Base interactions energy: -894.598 where: short stacking energy: -355.146 Base-Backbone interact. energy: -1.264 local terms energy: -433.117381 where: bonds (distance) C4'-P energy: -107.818 bonds (distance) P-C4' energy: -95.599 flat angles C4'-P-C4' energy: -102.233 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -74.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2350.327587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.327587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.327587 (E_RNA) where: Base-Base interactions energy: -1655.503 where: short stacking energy: -679.994 Base-Backbone interact. energy: 0.368 local terms energy: -695.192272 where: bonds (distance) C4'-P energy: -124.465 bonds (distance) P-C4' energy: -128.829 flat angles C4'-P-C4' energy: -145.331 flat angles P-C4'-P energy: -102.574 tors. eta vs tors. theta energy: -193.994 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: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2219.762304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.762304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.762304 (E_RNA) where: Base-Base interactions energy: -1580.273 where: short stacking energy: -630.841 Base-Backbone interact. energy: -0.920 local terms energy: -638.568958 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -123.612 flat angles C4'-P-C4' energy: -142.756 flat angles P-C4'-P energy: -90.637 tors. eta vs tors. theta energy: -162.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2107.164136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.164136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.164136 (E_RNA) where: Base-Base interactions energy: -1516.812 where: short stacking energy: -600.816 Base-Backbone interact. energy: -0.641 local terms energy: -589.710971 where: bonds (distance) C4'-P energy: -113.053 bonds (distance) P-C4' energy: -111.986 flat angles C4'-P-C4' energy: -132.494 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: -154.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2020.349583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.349583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.349583 (E_RNA) where: Base-Base interactions energy: -1426.146 where: short stacking energy: -559.434 Base-Backbone interact. energy: 1.012 local terms energy: -595.215687 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -119.080 flat angles C4'-P-C4' energy: -127.193 flat angles P-C4'-P energy: -91.701 tors. eta vs tors. theta energy: -141.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1908.452401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.452401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.452401 (E_RNA) where: Base-Base interactions energy: -1312.665 where: short stacking energy: -545.750 Base-Backbone interact. energy: -2.036 local terms energy: -593.751569 where: bonds (distance) C4'-P energy: -130.593 bonds (distance) P-C4' energy: -105.983 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -90.740 tors. eta vs tors. theta energy: -144.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1904.203539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.203539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.203539 (E_RNA) where: Base-Base interactions energy: -1344.227 where: short stacking energy: -541.862 Base-Backbone interact. energy: -0.880 local terms energy: -559.096621 where: bonds (distance) C4'-P energy: -110.189 bonds (distance) P-C4' energy: -93.189 flat angles C4'-P-C4' energy: -122.224 flat angles P-C4'-P energy: -91.159 tors. eta vs tors. theta energy: -142.336 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1866.669493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.669493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.669493 (E_RNA) where: Base-Base interactions energy: -1304.272 where: short stacking energy: -528.434 Base-Backbone interact. energy: -2.344 local terms energy: -560.053850 where: bonds (distance) C4'-P energy: -105.873 bonds (distance) P-C4' energy: -111.658 flat angles C4'-P-C4' energy: -105.301 flat angles P-C4'-P energy: -93.569 tors. eta vs tors. theta energy: -143.653 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: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1714.025219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.025219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.025219 (E_RNA) where: Base-Base interactions energy: -1191.851 where: short stacking energy: -456.498 Base-Backbone interact. energy: 0.054 local terms energy: -522.227682 where: bonds (distance) C4'-P energy: -120.865 bonds (distance) P-C4' energy: -103.299 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -72.680 tors. eta vs tors. theta energy: -121.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1280.548182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.548182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.548182 (E_RNA) where: Base-Base interactions energy: -841.828 where: short stacking energy: -360.294 Base-Backbone interact. energy: 1.620 local terms energy: -440.340531 where: bonds (distance) C4'-P energy: -84.310 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -116.524 flat angles P-C4'-P energy: -54.844 tors. eta vs tors. theta energy: -90.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1328.813291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.813291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.813291 (E_RNA) where: Base-Base interactions energy: -876.765 where: short stacking energy: -370.637 Base-Backbone interact. energy: 4.170 local terms energy: -456.217919 where: bonds (distance) C4'-P energy: -107.540 bonds (distance) P-C4' energy: -111.057 flat angles C4'-P-C4' energy: -96.462 flat angles P-C4'-P energy: -60.348 tors. eta vs tors. theta energy: -80.811 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: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2325.887110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.887110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.887110 (E_RNA) where: Base-Base interactions energy: -1659.019 where: short stacking energy: -690.190 Base-Backbone interact. energy: 0.040 local terms energy: -666.908143 where: bonds (distance) C4'-P energy: -122.471 bonds (distance) P-C4' energy: -128.238 flat angles C4'-P-C4' energy: -131.350 flat angles P-C4'-P energy: -94.916 tors. eta vs tors. theta energy: -189.934 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: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2207.775798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.775798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.775798 (E_RNA) where: Base-Base interactions energy: -1569.786 where: short stacking energy: -626.061 Base-Backbone interact. energy: -1.610 local terms energy: -636.379437 where: bonds (distance) C4'-P energy: -121.201 bonds (distance) P-C4' energy: -114.472 flat angles C4'-P-C4' energy: -135.817 flat angles P-C4'-P energy: -95.408 tors. eta vs tors. theta energy: -169.481 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: 10 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2092.626511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.626511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.626511 (E_RNA) where: Base-Base interactions energy: -1496.179 where: short stacking energy: -590.356 Base-Backbone interact. energy: -0.870 local terms energy: -595.577882 where: bonds (distance) C4'-P energy: -111.110 bonds (distance) P-C4' energy: -118.611 flat angles C4'-P-C4' energy: -133.037 flat angles P-C4'-P energy: -84.095 tors. eta vs tors. theta energy: -148.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1995.666300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.666300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.666300 (E_RNA) where: Base-Base interactions energy: -1420.603 where: short stacking energy: -584.978 Base-Backbone interact. energy: -0.411 local terms energy: -574.652089 where: bonds (distance) C4'-P energy: -115.497 bonds (distance) P-C4' energy: -107.744 flat angles C4'-P-C4' energy: -114.343 flat angles P-C4'-P energy: -92.549 tors. eta vs tors. theta energy: -144.520 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: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1976.156481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.156481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.156481 (E_RNA) where: Base-Base interactions energy: -1391.018 where: short stacking energy: -563.191 Base-Backbone interact. energy: -0.743 local terms energy: -584.395369 where: bonds (distance) C4'-P energy: -115.308 bonds (distance) P-C4' energy: -106.528 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -88.662 tors. eta vs tors. theta energy: -141.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1908.099381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.099381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.099381 (E_RNA) where: Base-Base interactions energy: -1328.619 where: short stacking energy: -562.053 Base-Backbone interact. energy: -4.684 local terms energy: -574.796009 where: bonds (distance) C4'-P energy: -124.036 bonds (distance) P-C4' energy: -108.503 flat angles C4'-P-C4' energy: -130.923 flat angles P-C4'-P energy: -75.108 tors. eta vs tors. theta energy: -136.227 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: 34 Temperature: 1.200000 Total energy: -1919.659475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.659475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.659475 (E_RNA) where: Base-Base interactions energy: -1358.092 where: short stacking energy: -543.155 Base-Backbone interact. energy: 1.486 local terms energy: -563.053798 where: bonds (distance) C4'-P energy: -111.546 bonds (distance) P-C4' energy: -114.264 flat angles C4'-P-C4' energy: -121.384 flat angles P-C4'-P energy: -74.080 tors. eta vs tors. theta energy: -141.779 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: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1781.939450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.939450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.939450 (E_RNA) where: Base-Base interactions energy: -1257.529 where: short stacking energy: -515.496 Base-Backbone interact. energy: 1.868 local terms energy: -526.278480 where: bonds (distance) C4'-P energy: -94.463 bonds (distance) P-C4' energy: -97.926 flat angles C4'-P-C4' energy: -116.905 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: -145.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1318.084613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.084613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.084613 (E_RNA) where: Base-Base interactions energy: -848.105 where: short stacking energy: -378.301 Base-Backbone interact. energy: 0.209 local terms energy: -470.188873 where: bonds (distance) C4'-P energy: -90.294 bonds (distance) P-C4' energy: -119.544 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -77.800 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: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1218.470028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.470028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.470028 (E_RNA) where: Base-Base interactions energy: -811.007 where: short stacking energy: -352.552 Base-Backbone interact. energy: 0.453 local terms energy: -407.916152 where: bonds (distance) C4'-P energy: -71.246 bonds (distance) P-C4' energy: -84.230 flat angles C4'-P-C4' energy: -98.982 flat angles P-C4'-P energy: -77.182 tors. eta vs tors. theta energy: -76.276 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: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2322.793438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.793438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.793438 (E_RNA) where: Base-Base interactions energy: -1644.089 where: short stacking energy: -657.105 Base-Backbone interact. energy: -0.908 local terms energy: -677.796467 where: bonds (distance) C4'-P energy: -131.120 bonds (distance) P-C4' energy: -127.784 flat angles C4'-P-C4' energy: -143.125 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -182.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2243.941720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.941720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.941720 (E_RNA) where: Base-Base interactions energy: -1592.353 where: short stacking energy: -647.742 Base-Backbone interact. energy: -1.775 local terms energy: -649.813898 where: bonds (distance) C4'-P energy: -118.984 bonds (distance) P-C4' energy: -105.788 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -107.678 tors. eta vs tors. theta energy: -174.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2080.520610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.520610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.520610 (E_RNA) where: Base-Base interactions energy: -1466.483 where: short stacking energy: -566.523 Base-Backbone interact. energy: -2.232 local terms energy: -611.806315 where: bonds (distance) C4'-P energy: -125.139 bonds (distance) P-C4' energy: -120.283 flat angles C4'-P-C4' energy: -135.168 flat angles P-C4'-P energy: -82.427 tors. eta vs tors. theta energy: -148.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1987.627809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.627809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.627809 (E_RNA) where: Base-Base interactions energy: -1393.318 where: short stacking energy: -550.177 Base-Backbone interact. energy: 2.207 local terms energy: -596.516579 where: bonds (distance) C4'-P energy: -115.584 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -135.586 flat angles P-C4'-P energy: -95.604 tors. eta vs tors. theta energy: -135.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2059.949114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.949114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.949114 (E_RNA) where: Base-Base interactions energy: -1448.439 where: short stacking energy: -572.206 Base-Backbone interact. energy: 0.080 local terms energy: -611.589380 where: bonds (distance) C4'-P energy: -101.066 bonds (distance) P-C4' energy: -120.073 flat angles C4'-P-C4' energy: -126.964 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -162.665 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: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1865.869253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.869253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.869253 (E_RNA) where: Base-Base interactions energy: -1335.127 where: short stacking energy: -525.263 Base-Backbone interact. energy: -0.670 local terms energy: -530.071627 where: bonds (distance) C4'-P energy: -95.088 bonds (distance) P-C4' energy: -111.908 flat angles C4'-P-C4' energy: -125.394 flat angles P-C4'-P energy: -76.423 tors. eta vs tors. theta energy: -121.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1951.024829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.024829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.024829 (E_RNA) where: Base-Base interactions energy: -1382.767 where: short stacking energy: -553.732 Base-Backbone interact. energy: -3.321 local terms energy: -564.936595 where: bonds (distance) C4'-P energy: -120.572 bonds (distance) P-C4' energy: -111.354 flat angles C4'-P-C4' energy: -125.803 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: -142.233 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: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1783.784292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.784292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.784292 (E_RNA) where: Base-Base interactions energy: -1234.726 where: short stacking energy: -504.553 Base-Backbone interact. energy: -0.630 local terms energy: -548.428326 where: bonds (distance) C4'-P energy: -94.411 bonds (distance) P-C4' energy: -116.263 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -76.233 tors. eta vs tors. theta energy: -138.155 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: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1317.028484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.028484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.028484 (E_RNA) where: Base-Base interactions energy: -868.862 where: short stacking energy: -376.969 Base-Backbone interact. energy: -0.252 local terms energy: -447.914679 where: bonds (distance) C4'-P energy: -98.996 bonds (distance) P-C4' energy: -116.934 flat angles C4'-P-C4' energy: -93.121 flat angles P-C4'-P energy: -66.439 tors. eta vs tors. theta energy: -72.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1281.972343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.972343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.972343 (E_RNA) where: Base-Base interactions energy: -848.745 where: short stacking energy: -351.832 Base-Backbone interact. energy: 3.305 local terms energy: -436.532285 where: bonds (distance) C4'-P energy: -101.774 bonds (distance) P-C4' energy: -121.902 flat angles C4'-P-C4' energy: -99.579 flat angles P-C4'-P energy: -46.473 tors. eta vs tors. theta energy: -66.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2328.449738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.449738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.449738 (E_RNA) where: Base-Base interactions energy: -1671.507 where: short stacking energy: -668.889 Base-Backbone interact. energy: -2.837 local terms energy: -654.105799 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -128.319 flat angles C4'-P-C4' energy: -144.521 flat angles P-C4'-P energy: -89.267 tors. eta vs tors. theta energy: -179.091 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: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2256.696188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.696188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.696188 (E_RNA) where: Base-Base interactions energy: -1611.714 where: short stacking energy: -644.551 Base-Backbone interact. energy: -2.617 local terms energy: -642.365819 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -127.547 flat angles C4'-P-C4' energy: -129.660 flat angles P-C4'-P energy: -91.463 tors. eta vs tors. theta energy: -174.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2096.146238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.146238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.146238 (E_RNA) where: Base-Base interactions energy: -1510.040 where: short stacking energy: -587.195 Base-Backbone interact. energy: -0.471 local terms energy: -585.634788 where: bonds (distance) C4'-P energy: -108.288 bonds (distance) P-C4' energy: -126.089 flat angles C4'-P-C4' energy: -136.426 flat angles P-C4'-P energy: -66.421 tors. eta vs tors. theta energy: -148.411 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: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2001.820818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.820818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.820818 (E_RNA) where: Base-Base interactions energy: -1429.894 where: short stacking energy: -556.829 Base-Backbone interact. energy: -3.529 local terms energy: -568.397871 where: bonds (distance) C4'-P energy: -119.416 bonds (distance) P-C4' energy: -109.363 flat angles C4'-P-C4' energy: -133.193 flat angles P-C4'-P energy: -72.670 tors. eta vs tors. theta energy: -133.756 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: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2053.012911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.012911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.012911 (E_RNA) where: Base-Base interactions energy: -1425.188 where: short stacking energy: -571.466 Base-Backbone interact. energy: -0.119 local terms energy: -627.705498 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -114.399 flat angles C4'-P-C4' energy: -141.579 flat angles P-C4'-P energy: -101.729 tors. eta vs tors. theta energy: -162.699 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: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1934.756366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.756366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.756366 (E_RNA) where: Base-Base interactions energy: -1386.500 where: short stacking energy: -546.895 Base-Backbone interact. energy: -1.628 local terms energy: -546.628125 where: bonds (distance) C4'-P energy: -86.320 bonds (distance) P-C4' energy: -114.619 flat angles C4'-P-C4' energy: -118.416 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: -150.282 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: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1895.865156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.865156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.865156 (E_RNA) where: Base-Base interactions energy: -1304.764 where: short stacking energy: -522.704 Base-Backbone interact. energy: -0.507 local terms energy: -590.594795 where: bonds (distance) C4'-P energy: -109.150 bonds (distance) P-C4' energy: -116.288 flat angles C4'-P-C4' energy: -126.734 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -155.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1764.821039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.821039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.821039 (E_RNA) where: Base-Base interactions energy: -1246.256 where: short stacking energy: -495.906 Base-Backbone interact. energy: -0.155 local terms energy: -518.409676 where: bonds (distance) C4'-P energy: -104.989 bonds (distance) P-C4' energy: -104.559 flat angles C4'-P-C4' energy: -122.007 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -126.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1349.679192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.679192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.679192 (E_RNA) where: Base-Base interactions energy: -874.063 where: short stacking energy: -370.235 Base-Backbone interact. energy: -1.214 local terms energy: -474.402348 where: bonds (distance) C4'-P energy: -113.343 bonds (distance) P-C4' energy: -110.311 flat angles C4'-P-C4' energy: -101.668 flat angles P-C4'-P energy: -72.240 tors. eta vs tors. theta energy: -76.841 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: 3 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1294.819789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.819789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.819789 (E_RNA) where: Base-Base interactions energy: -861.216 where: short stacking energy: -362.742 Base-Backbone interact. energy: 5.101 local terms energy: -438.704743 where: bonds (distance) C4'-P energy: -97.198 bonds (distance) P-C4' energy: -86.337 flat angles C4'-P-C4' energy: -113.773 flat angles P-C4'-P energy: -60.914 tors. eta vs tors. theta energy: -80.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2339.141853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.141853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.141853 (E_RNA) where: Base-Base interactions energy: -1683.804 where: short stacking energy: -667.585 Base-Backbone interact. energy: 1.303 local terms energy: -656.641393 where: bonds (distance) C4'-P energy: -109.922 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -151.042 flat angles P-C4'-P energy: -96.976 tors. eta vs tors. theta energy: -173.936 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2279.361986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.361986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.361986 (E_RNA) where: Base-Base interactions energy: -1634.723 where: short stacking energy: -635.836 Base-Backbone interact. energy: -1.842 local terms energy: -642.797160 where: bonds (distance) C4'-P energy: -111.259 bonds (distance) P-C4' energy: -125.015 flat angles C4'-P-C4' energy: -138.857 flat angles P-C4'-P energy: -91.086 tors. eta vs tors. theta energy: -176.580 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: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2098.766695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.766695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.766695 (E_RNA) where: Base-Base interactions energy: -1487.703 where: short stacking energy: -608.794 Base-Backbone interact. energy: -0.218 local terms energy: -610.846321 where: bonds (distance) C4'-P energy: -123.401 bonds (distance) P-C4' energy: -115.699 flat angles C4'-P-C4' energy: -129.578 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -155.088 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: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2095.557655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.557655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.557655 (E_RNA) where: Base-Base interactions energy: -1479.074 where: short stacking energy: -585.746 Base-Backbone interact. energy: -1.582 local terms energy: -614.901661 where: bonds (distance) C4'-P energy: -114.578 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -120.474 flat angles P-C4'-P energy: -92.634 tors. eta vs tors. theta energy: -171.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1958.754951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.754951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.754951 (E_RNA) where: Base-Base interactions energy: -1379.624 where: short stacking energy: -564.539 Base-Backbone interact. energy: -0.454 local terms energy: -578.677456 where: bonds (distance) C4'-P energy: -113.255 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -132.676 flat angles P-C4'-P energy: -77.497 tors. eta vs tors. theta energy: -140.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -2030.622452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.622452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.622452 (E_RNA) where: Base-Base interactions energy: -1440.174 where: short stacking energy: -588.392 Base-Backbone interact. energy: 2.556 local terms energy: -593.004704 where: bonds (distance) C4'-P energy: -104.332 bonds (distance) P-C4' energy: -120.094 flat angles C4'-P-C4' energy: -129.833 flat angles P-C4'-P energy: -80.278 tors. eta vs tors. theta energy: -158.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1891.282896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.282896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.282896 (E_RNA) where: Base-Base interactions energy: -1324.556 where: short stacking energy: -530.589 Base-Backbone interact. energy: -2.876 local terms energy: -563.850834 where: bonds (distance) C4'-P energy: -96.551 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -122.057 flat angles P-C4'-P energy: -82.203 tors. eta vs tors. theta energy: -144.854 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: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1805.186235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.186235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.186235 (E_RNA) where: Base-Base interactions energy: -1265.164 where: short stacking energy: -497.090 Base-Backbone interact. energy: -1.105 local terms energy: -538.917712 where: bonds (distance) C4'-P energy: -91.706 bonds (distance) P-C4' energy: -114.852 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -80.787 tors. eta vs tors. theta energy: -130.141 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: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1322.548178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.548178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.548178 (E_RNA) where: Base-Base interactions energy: -862.079 where: short stacking energy: -374.761 Base-Backbone interact. energy: -1.606 local terms energy: -458.863066 where: bonds (distance) C4'-P energy: -100.510 bonds (distance) P-C4' energy: -113.787 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -72.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1268.201073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.201073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.201073 (E_RNA) where: Base-Base interactions energy: -815.164 where: short stacking energy: -339.440 Base-Backbone interact. energy: 0.366 local terms energy: -453.403837 where: bonds (distance) C4'-P energy: -98.823 bonds (distance) P-C4' energy: -96.594 flat angles C4'-P-C4' energy: -110.232 flat angles P-C4'-P energy: -69.061 tors. eta vs tors. theta energy: -78.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2341.648241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.648241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.648241 (E_RNA) where: Base-Base interactions energy: -1679.125 where: short stacking energy: -677.453 Base-Backbone interact. energy: -4.141 local terms energy: -658.381973 where: bonds (distance) C4'-P energy: -127.610 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -138.157 flat angles P-C4'-P energy: -90.118 tors. eta vs tors. theta energy: -181.991 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: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2299.143300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.143300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.143300 (E_RNA) where: Base-Base interactions energy: -1647.776 where: short stacking energy: -662.867 Base-Backbone interact. energy: -4.423 local terms energy: -646.944572 where: bonds (distance) C4'-P energy: -120.444 bonds (distance) P-C4' energy: -108.394 flat angles C4'-P-C4' energy: -139.051 flat angles P-C4'-P energy: -102.372 tors. eta vs tors. theta energy: -176.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2192.242627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.242627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.242627 (E_RNA) where: Base-Base interactions energy: -1527.142 where: short stacking energy: -609.959 Base-Backbone interact. energy: -1.228 local terms energy: -663.872221 where: bonds (distance) C4'-P energy: -115.238 bonds (distance) P-C4' energy: -132.744 flat angles C4'-P-C4' energy: -141.210 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -165.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2065.058551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.058551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.058551 (E_RNA) where: Base-Base interactions energy: -1463.483 where: short stacking energy: -577.322 Base-Backbone interact. energy: -1.052 local terms energy: -600.523303 where: bonds (distance) C4'-P energy: -100.700 bonds (distance) P-C4' energy: -113.619 flat angles C4'-P-C4' energy: -140.502 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -152.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2049.303076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.303076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.303076 (E_RNA) where: Base-Base interactions energy: -1441.802 where: short stacking energy: -589.819 Base-Backbone interact. energy: -0.991 local terms energy: -606.510611 where: bonds (distance) C4'-P energy: -111.150 bonds (distance) P-C4' energy: -121.459 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -158.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1905.106782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.106782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.106782 (E_RNA) where: Base-Base interactions energy: -1347.742 where: short stacking energy: -527.424 Base-Backbone interact. energy: -3.157 local terms energy: -554.208330 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -124.159 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -138.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1908.253855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.253855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.253855 (E_RNA) where: Base-Base interactions energy: -1365.373 where: short stacking energy: -543.176 Base-Backbone interact. energy: -2.845 local terms energy: -540.035327 where: bonds (distance) C4'-P energy: -103.078 bonds (distance) P-C4' energy: -94.081 flat angles C4'-P-C4' energy: -117.647 flat angles P-C4'-P energy: -71.649 tors. eta vs tors. theta energy: -153.581 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: 38 Temperature: 1.250000 Total energy: -1780.311826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.311826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.311826 (E_RNA) where: Base-Base interactions energy: -1240.962 where: short stacking energy: -528.439 Base-Backbone interact. energy: -2.348 local terms energy: -537.002164 where: bonds (distance) C4'-P energy: -87.063 bonds (distance) P-C4' energy: -117.499 flat angles C4'-P-C4' energy: -113.266 flat angles P-C4'-P energy: -84.025 tors. eta vs tors. theta energy: -135.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1418.195350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.195350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.195350 (E_RNA) where: Base-Base interactions energy: -938.813 where: short stacking energy: -392.330 Base-Backbone interact. energy: -0.914 local terms energy: -478.468488 where: bonds (distance) C4'-P energy: -80.871 bonds (distance) P-C4' energy: -117.693 flat angles C4'-P-C4' energy: -118.767 flat angles P-C4'-P energy: -61.504 tors. eta vs tors. theta energy: -99.633 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: 38 Temperature: 1.350000 Total energy: -1283.566861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.566861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.566861 (E_RNA) where: Base-Base interactions energy: -866.047 where: short stacking energy: -353.110 Base-Backbone interact. energy: 6.885 local terms energy: -424.405577 where: bonds (distance) C4'-P energy: -92.524 bonds (distance) P-C4' energy: -104.172 flat angles C4'-P-C4' energy: -102.002 flat angles P-C4'-P energy: -64.404 tors. eta vs tors. theta energy: -61.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2365.230788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.230788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.230788 (E_RNA) where: Base-Base interactions energy: -1714.000 where: short stacking energy: -668.534 Base-Backbone interact. energy: -5.226 local terms energy: -646.005431 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -123.626 flat angles C4'-P-C4' energy: -136.994 flat angles P-C4'-P energy: -86.675 tors. eta vs tors. theta energy: -186.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2298.230991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.230991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.230991 (E_RNA) where: Base-Base interactions energy: -1679.080 where: short stacking energy: -646.630 Base-Backbone interact. energy: 1.573 local terms energy: -620.724150 where: bonds (distance) C4'-P energy: -97.326 bonds (distance) P-C4' energy: -123.984 flat angles C4'-P-C4' energy: -141.746 flat angles P-C4'-P energy: -86.233 tors. eta vs tors. theta energy: -171.436 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: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2244.293342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.293342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.293342 (E_RNA) where: Base-Base interactions energy: -1592.631 where: short stacking energy: -630.136 Base-Backbone interact. energy: -1.864 local terms energy: -649.797855 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -124.424 flat angles C4'-P-C4' energy: -141.027 flat angles P-C4'-P energy: -94.034 tors. eta vs tors. theta energy: -173.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2077.724404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.724404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.724404 (E_RNA) where: Base-Base interactions energy: -1442.026 where: short stacking energy: -576.713 Base-Backbone interact. energy: -0.376 local terms energy: -635.321454 where: bonds (distance) C4'-P energy: -122.480 bonds (distance) P-C4' energy: -111.782 flat angles C4'-P-C4' energy: -148.327 flat angles P-C4'-P energy: -95.211 tors. eta vs tors. theta energy: -157.521 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: 39 Temperature: 1.100000 Total energy: -1977.316684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.316684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.316684 (E_RNA) where: Base-Base interactions energy: -1381.542 where: short stacking energy: -542.192 Base-Backbone interact. energy: -1.440 local terms energy: -594.334695 where: bonds (distance) C4'-P energy: -110.350 bonds (distance) P-C4' energy: -132.101 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -90.180 tors. eta vs tors. theta energy: -132.332 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: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1926.707532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.707532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.707532 (E_RNA) where: Base-Base interactions energy: -1381.363 where: short stacking energy: -552.334 Base-Backbone interact. energy: -2.610 local terms energy: -542.734839 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -114.533 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: -138.514 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: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1867.339203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.339203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.339203 (E_RNA) where: Base-Base interactions energy: -1323.785 where: short stacking energy: -504.888 Base-Backbone interact. energy: -0.962 local terms energy: -542.592107 where: bonds (distance) C4'-P energy: -95.847 bonds (distance) P-C4' energy: -112.227 flat angles C4'-P-C4' energy: -124.061 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -132.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1781.912354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.912354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.912354 (E_RNA) where: Base-Base interactions energy: -1254.765 where: short stacking energy: -506.600 Base-Backbone interact. energy: 0.107 local terms energy: -527.254655 where: bonds (distance) C4'-P energy: -75.612 bonds (distance) P-C4' energy: -110.846 flat angles C4'-P-C4' energy: -131.648 flat angles P-C4'-P energy: -74.335 tors. eta vs tors. theta energy: -134.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1409.905249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.905249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.905249 (E_RNA) where: Base-Base interactions energy: -954.969 where: short stacking energy: -417.138 Base-Backbone interact. energy: 0.518 local terms energy: -455.454103 where: bonds (distance) C4'-P energy: -87.441 bonds (distance) P-C4' energy: -96.157 flat angles C4'-P-C4' energy: -111.405 flat angles P-C4'-P energy: -59.013 tors. eta vs tors. theta energy: -101.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1412.611231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.611231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.611231 (E_RNA) where: Base-Base interactions energy: -950.284 where: short stacking energy: -397.051 Base-Backbone interact. energy: 2.419 local terms energy: -464.746247 where: bonds (distance) C4'-P energy: -105.019 bonds (distance) P-C4' energy: -95.802 flat angles C4'-P-C4' energy: -111.177 flat angles P-C4'-P energy: -64.959 tors. eta vs tors. theta energy: -87.790 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: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2340.550367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.550367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.550367 (E_RNA) where: Base-Base interactions energy: -1666.441 where: short stacking energy: -655.293 Base-Backbone interact. energy: -2.719 local terms energy: -671.390495 where: bonds (distance) C4'-P energy: -120.026 bonds (distance) P-C4' energy: -135.413 flat angles C4'-P-C4' energy: -133.685 flat angles P-C4'-P energy: -96.892 tors. eta vs tors. theta energy: -185.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2293.844665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.844665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.844665 (E_RNA) where: Base-Base interactions energy: -1656.939 where: short stacking energy: -640.048 Base-Backbone interact. energy: -3.069 local terms energy: -633.837091 where: bonds (distance) C4'-P energy: -112.151 bonds (distance) P-C4' energy: -120.138 flat angles C4'-P-C4' energy: -136.619 flat angles P-C4'-P energy: -95.230 tors. eta vs tors. theta energy: -169.700 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: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2263.863338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.863338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.863338 (E_RNA) where: Base-Base interactions energy: -1612.447 where: short stacking energy: -652.763 Base-Backbone interact. energy: -1.108 local terms energy: -650.308714 where: bonds (distance) C4'-P energy: -107.244 bonds (distance) P-C4' energy: -118.574 flat angles C4'-P-C4' energy: -142.191 flat angles P-C4'-P energy: -105.145 tors. eta vs tors. theta energy: -177.154 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: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2097.740009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.740009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.740009 (E_RNA) where: Base-Base interactions energy: -1490.365 where: short stacking energy: -596.941 Base-Backbone interact. energy: -0.791 local terms energy: -606.583373 where: bonds (distance) C4'-P energy: -117.493 bonds (distance) P-C4' energy: -115.436 flat angles C4'-P-C4' energy: -137.723 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: -162.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1994.653626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.653626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.653626 (E_RNA) where: Base-Base interactions energy: -1387.890 where: short stacking energy: -549.996 Base-Backbone interact. energy: 0.936 local terms energy: -607.700211 where: bonds (distance) C4'-P energy: -109.815 bonds (distance) P-C4' energy: -126.012 flat angles C4'-P-C4' energy: -138.833 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -148.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1919.886242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.886242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.886242 (E_RNA) where: Base-Base interactions energy: -1343.404 where: short stacking energy: -540.166 Base-Backbone interact. energy: -1.291 local terms energy: -575.191072 where: bonds (distance) C4'-P energy: -114.827 bonds (distance) P-C4' energy: -120.201 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -86.129 tors. eta vs tors. theta energy: -148.740 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: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1886.874044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.874044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.874044 (E_RNA) where: Base-Base interactions energy: -1333.699 where: short stacking energy: -569.579 Base-Backbone interact. energy: -0.067 local terms energy: -553.107882 where: bonds (distance) C4'-P energy: -83.661 bonds (distance) P-C4' energy: -113.735 flat angles C4'-P-C4' energy: -125.507 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -147.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1803.350113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.350113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.350113 (E_RNA) where: Base-Base interactions energy: -1260.993 where: short stacking energy: -533.231 Base-Backbone interact. energy: 2.864 local terms energy: -545.220749 where: bonds (distance) C4'-P energy: -89.503 bonds (distance) P-C4' energy: -100.045 flat angles C4'-P-C4' energy: -124.264 flat angles P-C4'-P energy: -79.330 tors. eta vs tors. theta energy: -152.079 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: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1600.961407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.961407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.961407 (E_RNA) where: Base-Base interactions energy: -1131.883 where: short stacking energy: -432.672 Base-Backbone interact. energy: -0.079 local terms energy: -468.999761 where: bonds (distance) C4'-P energy: -97.323 bonds (distance) P-C4' energy: -87.167 flat angles C4'-P-C4' energy: -112.896 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -103.553 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: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1356.594345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.594345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.594345 (E_RNA) where: Base-Base interactions energy: -917.161 where: short stacking energy: -369.766 Base-Backbone interact. energy: -0.439 local terms energy: -438.994856 where: bonds (distance) C4'-P energy: -97.543 bonds (distance) P-C4' energy: -94.657 flat angles C4'-P-C4' energy: -94.422 flat angles P-C4'-P energy: -65.238 tors. eta vs tors. theta energy: -87.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2334.827126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.827126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.827126 (E_RNA) where: Base-Base interactions energy: -1655.943 where: short stacking energy: -665.654 Base-Backbone interact. energy: -1.036 local terms energy: -677.848467 where: bonds (distance) C4'-P energy: -127.207 bonds (distance) P-C4' energy: -119.575 flat angles C4'-P-C4' energy: -147.234 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -188.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2266.850519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.850519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.850519 (E_RNA) where: Base-Base interactions energy: -1629.910 where: short stacking energy: -654.901 Base-Backbone interact. energy: -2.081 local terms energy: -634.860242 where: bonds (distance) C4'-P energy: -113.484 bonds (distance) P-C4' energy: -120.377 flat angles C4'-P-C4' energy: -134.394 flat angles P-C4'-P energy: -92.383 tors. eta vs tors. theta energy: -174.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2273.300632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.300632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.300632 (E_RNA) where: Base-Base interactions energy: -1613.548 where: short stacking energy: -651.753 Base-Backbone interact. energy: 1.635 local terms energy: -661.388580 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -142.450 flat angles P-C4'-P energy: -93.816 tors. eta vs tors. theta energy: -192.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2132.561297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.561297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.561297 (E_RNA) where: Base-Base interactions energy: -1483.786 where: short stacking energy: -576.560 Base-Backbone interact. energy: -1.474 local terms energy: -647.301775 where: bonds (distance) C4'-P energy: -122.283 bonds (distance) P-C4' energy: -122.056 flat angles C4'-P-C4' energy: -137.784 flat angles P-C4'-P energy: -106.996 tors. eta vs tors. theta energy: -158.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2020.288645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.288645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.288645 (E_RNA) where: Base-Base interactions energy: -1439.669 where: short stacking energy: -546.441 Base-Backbone interact. energy: -0.118 local terms energy: -580.501110 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -111.023 flat angles C4'-P-C4' energy: -135.194 flat angles P-C4'-P energy: -83.902 tors. eta vs tors. theta energy: -138.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1971.897157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.897157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.897157 (E_RNA) where: Base-Base interactions energy: -1401.902 where: short stacking energy: -552.460 Base-Backbone interact. energy: -0.967 local terms energy: -569.028464 where: bonds (distance) C4'-P energy: -102.305 bonds (distance) P-C4' energy: -110.871 flat angles C4'-P-C4' energy: -131.504 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -150.787 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: 41 Temperature: 1.200000 Total energy: -1889.928273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.928273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.928273 (E_RNA) where: Base-Base interactions energy: -1342.515 where: short stacking energy: -557.617 Base-Backbone interact. energy: -1.793 local terms energy: -545.620375 where: bonds (distance) C4'-P energy: -108.586 bonds (distance) P-C4' energy: -96.551 flat angles C4'-P-C4' energy: -109.366 flat angles P-C4'-P energy: -80.046 tors. eta vs tors. theta energy: -151.071 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: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1831.526665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.526665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.526665 (E_RNA) where: Base-Base interactions energy: -1270.368 where: short stacking energy: -498.058 Base-Backbone interact. energy: 1.121 local terms energy: -562.279196 where: bonds (distance) C4'-P energy: -119.952 bonds (distance) P-C4' energy: -120.883 flat angles C4'-P-C4' energy: -122.161 flat angles P-C4'-P energy: -62.712 tors. eta vs tors. theta energy: -136.572 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: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1595.457237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.457237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.457237 (E_RNA) where: Base-Base interactions energy: -1100.242 where: short stacking energy: -436.747 Base-Backbone interact. energy: 3.041 local terms energy: -498.255633 where: bonds (distance) C4'-P energy: -93.869 bonds (distance) P-C4' energy: -89.892 flat angles C4'-P-C4' energy: -120.543 flat angles P-C4'-P energy: -93.429 tors. eta vs tors. theta energy: -100.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1365.369775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.369775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.369775 (E_RNA) where: Base-Base interactions energy: -913.255 where: short stacking energy: -398.755 Base-Backbone interact. energy: -0.443 local terms energy: -451.672166 where: bonds (distance) C4'-P energy: -96.296 bonds (distance) P-C4' energy: -112.094 flat angles C4'-P-C4' energy: -100.432 flat angles P-C4'-P energy: -53.031 tors. eta vs tors. theta energy: -89.819 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: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2380.589793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.589793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.589793 (E_RNA) where: Base-Base interactions energy: -1707.634 where: short stacking energy: -684.205 Base-Backbone interact. energy: -3.248 local terms energy: -669.707370 where: bonds (distance) C4'-P energy: -121.807 bonds (distance) P-C4' energy: -135.022 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -87.378 tors. eta vs tors. theta energy: -189.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2264.642306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.642306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.642306 (E_RNA) where: Base-Base interactions energy: -1605.916 where: short stacking energy: -631.927 Base-Backbone interact. energy: -1.977 local terms energy: -656.749625 where: bonds (distance) C4'-P energy: -131.881 bonds (distance) P-C4' energy: -121.675 flat angles C4'-P-C4' energy: -132.635 flat angles P-C4'-P energy: -100.195 tors. eta vs tors. theta energy: -170.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2259.542392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.542392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.542392 (E_RNA) where: Base-Base interactions energy: -1617.945 where: short stacking energy: -636.077 Base-Backbone interact. energy: -1.351 local terms energy: -640.246313 where: bonds (distance) C4'-P energy: -104.971 bonds (distance) P-C4' energy: -121.681 flat angles C4'-P-C4' energy: -130.876 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -186.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2108.184702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.184702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.184702 (E_RNA) where: Base-Base interactions energy: -1509.125 where: short stacking energy: -601.261 Base-Backbone interact. energy: 0.776 local terms energy: -599.835462 where: bonds (distance) C4'-P energy: -107.512 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -125.505 flat angles P-C4'-P energy: -92.042 tors. eta vs tors. theta energy: -165.091 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: 42 Temperature: 1.100000 Total energy: -2024.459405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.459405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.459405 (E_RNA) where: Base-Base interactions energy: -1460.410 where: short stacking energy: -538.750 Base-Backbone interact. energy: -1.715 local terms energy: -562.334408 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -107.044 flat angles C4'-P-C4' energy: -125.051 flat angles P-C4'-P energy: -85.358 tors. eta vs tors. theta energy: -149.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1926.521352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.521352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.521352 (E_RNA) where: Base-Base interactions energy: -1386.963 where: short stacking energy: -519.584 Base-Backbone interact. energy: -0.744 local terms energy: -538.814346 where: bonds (distance) C4'-P energy: -106.908 bonds (distance) P-C4' energy: -88.468 flat angles C4'-P-C4' energy: -125.805 flat angles P-C4'-P energy: -80.482 tors. eta vs tors. theta energy: -137.151 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1876.443209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.443209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.443209 (E_RNA) where: Base-Base interactions energy: -1344.787 where: short stacking energy: -536.663 Base-Backbone interact. energy: 0.381 local terms energy: -532.037597 where: bonds (distance) C4'-P energy: -91.145 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -130.097 flat angles P-C4'-P energy: -82.259 tors. eta vs tors. theta energy: -136.283 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: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1811.324893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.324893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.324893 (E_RNA) where: Base-Base interactions energy: -1270.522 where: short stacking energy: -516.832 Base-Backbone interact. energy: -1.120 local terms energy: -539.682708 where: bonds (distance) C4'-P energy: -104.824 bonds (distance) P-C4' energy: -107.092 flat angles C4'-P-C4' energy: -122.650 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: -128.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1616.154866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.154866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.154866 (E_RNA) where: Base-Base interactions energy: -1109.287 where: short stacking energy: -444.803 Base-Backbone interact. energy: -1.767 local terms energy: -505.100297 where: bonds (distance) C4'-P energy: -80.515 bonds (distance) P-C4' energy: -121.923 flat angles C4'-P-C4' energy: -113.962 flat angles P-C4'-P energy: -77.082 tors. eta vs tors. theta energy: -111.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1345.191755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.191755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.191755 (E_RNA) where: Base-Base interactions energy: -923.346 where: short stacking energy: -408.915 Base-Backbone interact. energy: 0.612 local terms energy: -422.457875 where: bonds (distance) C4'-P energy: -91.722 bonds (distance) P-C4' energy: -86.580 flat angles C4'-P-C4' energy: -104.604 flat angles P-C4'-P energy: -58.102 tors. eta vs tors. theta energy: -81.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2415.478607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.478607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.478607 (E_RNA) where: Base-Base interactions energy: -1709.120 where: short stacking energy: -700.669 Base-Backbone interact. energy: -2.915 local terms energy: -703.443742 where: bonds (distance) C4'-P energy: -118.879 bonds (distance) P-C4' energy: -134.444 flat angles C4'-P-C4' energy: -148.360 flat angles P-C4'-P energy: -105.976 tors. eta vs tors. theta energy: -195.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2285.640291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.640291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.640291 (E_RNA) where: Base-Base interactions energy: -1627.316 where: short stacking energy: -631.448 Base-Backbone interact. energy: -1.394 local terms energy: -656.930548 where: bonds (distance) C4'-P energy: -126.653 bonds (distance) P-C4' energy: -124.071 flat angles C4'-P-C4' energy: -144.736 flat angles P-C4'-P energy: -97.990 tors. eta vs tors. theta energy: -163.480 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: 43 Temperature: 1.000000 Total energy: -2269.011944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.011944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.011944 (E_RNA) where: Base-Base interactions energy: -1627.066 where: short stacking energy: -638.271 Base-Backbone interact. energy: -2.591 local terms energy: -639.355084 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -115.874 flat angles C4'-P-C4' energy: -135.616 flat angles P-C4'-P energy: -91.460 tors. eta vs tors. theta energy: -184.946 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2143.166774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.166774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.166774 (E_RNA) where: Base-Base interactions energy: -1507.509 where: short stacking energy: -623.295 Base-Backbone interact. energy: -0.842 local terms energy: -634.815673 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -124.024 flat angles C4'-P-C4' energy: -142.614 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -172.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2029.198266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.198266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.198266 (E_RNA) where: Base-Base interactions energy: -1448.845 where: short stacking energy: -574.049 Base-Backbone interact. energy: -1.347 local terms energy: -579.006126 where: bonds (distance) C4'-P energy: -109.806 bonds (distance) P-C4' energy: -107.372 flat angles C4'-P-C4' energy: -130.038 flat angles P-C4'-P energy: -90.223 tors. eta vs tors. theta energy: -141.567 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: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1969.164105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.164105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.164105 (E_RNA) where: Base-Base interactions energy: -1384.726 where: short stacking energy: -549.602 Base-Backbone interact. energy: -1.840 local terms energy: -582.597705 where: bonds (distance) C4'-P energy: -101.925 bonds (distance) P-C4' energy: -112.729 flat angles C4'-P-C4' energy: -134.831 flat angles P-C4'-P energy: -78.074 tors. eta vs tors. theta energy: -155.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1864.020683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.020683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.020683 (E_RNA) where: Base-Base interactions energy: -1322.687 where: short stacking energy: -507.489 Base-Backbone interact. energy: -3.135 local terms energy: -538.198736 where: bonds (distance) C4'-P energy: -84.989 bonds (distance) P-C4' energy: -113.473 flat angles C4'-P-C4' energy: -127.352 flat angles P-C4'-P energy: -70.547 tors. eta vs tors. theta energy: -141.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1820.004990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.004990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.004990 (E_RNA) where: Base-Base interactions energy: -1319.789 where: short stacking energy: -508.182 Base-Backbone interact. energy: 8.243 local terms energy: -508.459191 where: bonds (distance) C4'-P energy: -101.396 bonds (distance) P-C4' energy: -103.636 flat angles C4'-P-C4' energy: -116.857 flat angles P-C4'-P energy: -68.186 tors. eta vs tors. theta energy: -118.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1602.780459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.780459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.780459 (E_RNA) where: Base-Base interactions energy: -1111.203 where: short stacking energy: -466.650 Base-Backbone interact. energy: 4.666 local terms energy: -496.243951 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -107.119 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -109.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1302.529605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.529605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.529605 (E_RNA) where: Base-Base interactions energy: -883.313 where: short stacking energy: -393.477 Base-Backbone interact. energy: 1.463 local terms energy: -420.679587 where: bonds (distance) C4'-P energy: -94.903 bonds (distance) P-C4' energy: -85.073 flat angles C4'-P-C4' energy: -104.063 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -79.962 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: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2411.213613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.213613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.213613 (E_RNA) where: Base-Base interactions energy: -1706.446 where: short stacking energy: -691.944 Base-Backbone interact. energy: -3.433 local terms energy: -701.334444 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -133.112 flat angles C4'-P-C4' energy: -149.280 flat angles P-C4'-P energy: -96.314 tors. eta vs tors. theta energy: -189.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2274.638690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.638690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.638690 (E_RNA) where: Base-Base interactions energy: -1636.420 where: short stacking energy: -660.655 Base-Backbone interact. energy: -2.998 local terms energy: -635.221063 where: bonds (distance) C4'-P energy: -110.884 bonds (distance) P-C4' energy: -123.966 flat angles C4'-P-C4' energy: -140.366 flat angles P-C4'-P energy: -84.888 tors. eta vs tors. theta energy: -175.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2277.734492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.734492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.734492 (E_RNA) where: Base-Base interactions energy: -1630.282 where: short stacking energy: -635.590 Base-Backbone interact. energy: 1.505 local terms energy: -648.957730 where: bonds (distance) C4'-P energy: -117.557 bonds (distance) P-C4' energy: -122.755 flat angles C4'-P-C4' energy: -138.831 flat angles P-C4'-P energy: -95.705 tors. eta vs tors. theta energy: -174.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2129.411102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.411102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.411102 (E_RNA) where: Base-Base interactions energy: -1486.957 where: short stacking energy: -629.939 Base-Backbone interact. energy: 1.078 local terms energy: -643.532557 where: bonds (distance) C4'-P energy: -106.491 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -128.222 flat angles P-C4'-P energy: -97.748 tors. eta vs tors. theta energy: -192.590 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: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2043.059763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.059763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.059763 (E_RNA) where: Base-Base interactions energy: -1442.711 where: short stacking energy: -560.863 Base-Backbone interact. energy: 0.819 local terms energy: -601.167114 where: bonds (distance) C4'-P energy: -119.561 bonds (distance) P-C4' energy: -102.177 flat angles C4'-P-C4' energy: -129.658 flat angles P-C4'-P energy: -90.761 tors. eta vs tors. theta energy: -159.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1968.935191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.935191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.935191 (E_RNA) where: Base-Base interactions energy: -1395.998 where: short stacking energy: -539.924 Base-Backbone interact. energy: -0.911 local terms energy: -572.026118 where: bonds (distance) C4'-P energy: -106.154 bonds (distance) P-C4' energy: -111.654 flat angles C4'-P-C4' energy: -124.610 flat angles P-C4'-P energy: -76.794 tors. eta vs tors. theta energy: -152.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1851.697996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.697996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.697996 (E_RNA) where: Base-Base interactions energy: -1316.009 where: short stacking energy: -498.591 Base-Backbone interact. energy: -1.671 local terms energy: -534.018326 where: bonds (distance) C4'-P energy: -96.946 bonds (distance) P-C4' energy: -110.426 flat angles C4'-P-C4' energy: -126.497 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -134.527 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: 44 Temperature: 1.250000 Total energy: -1778.412338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.412338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.412338 (E_RNA) where: Base-Base interactions energy: -1242.368 where: short stacking energy: -503.179 Base-Backbone interact. energy: -1.797 local terms energy: -534.246963 where: bonds (distance) C4'-P energy: -101.575 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -121.992 flat angles P-C4'-P energy: -85.236 tors. eta vs tors. theta energy: -126.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1627.015096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.015096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.015096 (E_RNA) where: Base-Base interactions energy: -1127.456 where: short stacking energy: -452.013 Base-Backbone interact. energy: -1.269 local terms energy: -498.289958 where: bonds (distance) C4'-P energy: -99.695 bonds (distance) P-C4' energy: -97.651 flat angles C4'-P-C4' energy: -122.163 flat angles P-C4'-P energy: -70.830 tors. eta vs tors. theta energy: -107.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1322.915303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.915303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.915303 (E_RNA) where: Base-Base interactions energy: -887.145 where: short stacking energy: -399.155 Base-Backbone interact. energy: 8.152 local terms energy: -443.921988 where: bonds (distance) C4'-P energy: -99.777 bonds (distance) P-C4' energy: -95.152 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -60.370 tors. eta vs tors. theta energy: -100.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2408.235533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.235533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.235533 (E_RNA) where: Base-Base interactions energy: -1710.620 where: short stacking energy: -690.399 Base-Backbone interact. energy: -5.556 local terms energy: -692.059629 where: bonds (distance) C4'-P energy: -123.470 bonds (distance) P-C4' energy: -122.505 flat angles C4'-P-C4' energy: -150.729 flat angles P-C4'-P energy: -99.216 tors. eta vs tors. theta energy: -196.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2309.417311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.417311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.417311 (E_RNA) where: Base-Base interactions energy: -1650.750 where: short stacking energy: -658.174 Base-Backbone interact. energy: -1.107 local terms energy: -657.560185 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -120.647 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -93.354 tors. eta vs tors. theta energy: -188.974 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: 45 Temperature: 1.000000 Total energy: -2274.937980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.937980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.937980 (E_RNA) where: Base-Base interactions energy: -1623.191 where: short stacking energy: -639.443 Base-Backbone interact. energy: -1.431 local terms energy: -650.316471 where: bonds (distance) C4'-P energy: -119.075 bonds (distance) P-C4' energy: -122.823 flat angles C4'-P-C4' energy: -149.477 flat angles P-C4'-P energy: -88.400 tors. eta vs tors. theta energy: -170.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2096.201547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.201547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.201547 (E_RNA) where: Base-Base interactions energy: -1500.091 where: short stacking energy: -602.730 Base-Backbone interact. energy: -1.912 local terms energy: -594.198088 where: bonds (distance) C4'-P energy: -101.300 bonds (distance) P-C4' energy: -116.637 flat angles C4'-P-C4' energy: -131.617 flat angles P-C4'-P energy: -86.530 tors. eta vs tors. theta energy: -158.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2097.308693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.308693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.308693 (E_RNA) where: Base-Base interactions energy: -1496.636 where: short stacking energy: -607.943 Base-Backbone interact. energy: -1.357 local terms energy: -599.315876 where: bonds (distance) C4'-P energy: -111.432 bonds (distance) P-C4' energy: -117.848 flat angles C4'-P-C4' energy: -116.228 flat angles P-C4'-P energy: -88.389 tors. eta vs tors. theta energy: -165.419 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: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1996.589554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.589554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.589554 (E_RNA) where: Base-Base interactions energy: -1415.346 where: short stacking energy: -555.335 Base-Backbone interact. energy: -0.115 local terms energy: -581.127957 where: bonds (distance) C4'-P energy: -100.467 bonds (distance) P-C4' energy: -119.293 flat angles C4'-P-C4' energy: -118.898 flat angles P-C4'-P energy: -83.751 tors. eta vs tors. theta energy: -158.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1850.980557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.980557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.980557 (E_RNA) where: Base-Base interactions energy: -1308.813 where: short stacking energy: -516.392 Base-Backbone interact. energy: -0.707 local terms energy: -541.461264 where: bonds (distance) C4'-P energy: -102.665 bonds (distance) P-C4' energy: -104.840 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -82.555 tors. eta vs tors. theta energy: -128.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1776.105902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.105902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.105902 (E_RNA) where: Base-Base interactions energy: -1219.911 where: short stacking energy: -493.021 Base-Backbone interact. energy: 0.165 local terms energy: -556.359742 where: bonds (distance) C4'-P energy: -107.896 bonds (distance) P-C4' energy: -111.282 flat angles C4'-P-C4' energy: -114.962 flat angles P-C4'-P energy: -90.836 tors. eta vs tors. theta energy: -131.384 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: 3 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1695.978537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.978537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.978537 (E_RNA) where: Base-Base interactions energy: -1211.362 where: short stacking energy: -479.107 Base-Backbone interact. energy: 3.619 local terms energy: -488.235730 where: bonds (distance) C4'-P energy: -94.744 bonds (distance) P-C4' energy: -89.658 flat angles C4'-P-C4' energy: -119.586 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -125.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1303.625062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.625062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.625062 (E_RNA) where: Base-Base interactions energy: -892.229 where: short stacking energy: -372.808 Base-Backbone interact. energy: -0.010 local terms energy: -411.385624 where: bonds (distance) C4'-P energy: -83.922 bonds (distance) P-C4' energy: -88.784 flat angles C4'-P-C4' energy: -112.196 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -73.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2389.898174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.898174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.898174 (E_RNA) where: Base-Base interactions energy: -1707.846 where: short stacking energy: -701.057 Base-Backbone interact. energy: -2.015 local terms energy: -680.037797 where: bonds (distance) C4'-P energy: -124.108 bonds (distance) P-C4' energy: -112.676 flat angles C4'-P-C4' energy: -142.892 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -195.648 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: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2321.646997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.646997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.646997 (E_RNA) where: Base-Base interactions energy: -1686.120 where: short stacking energy: -666.204 Base-Backbone interact. energy: -0.375 local terms energy: -635.152489 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -110.641 flat angles C4'-P-C4' energy: -140.493 flat angles P-C4'-P energy: -90.431 tors. eta vs tors. theta energy: -189.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2254.229160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.229160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.229160 (E_RNA) where: Base-Base interactions energy: -1613.359 where: short stacking energy: -646.930 Base-Backbone interact. energy: -1.959 local terms energy: -638.911326 where: bonds (distance) C4'-P energy: -116.231 bonds (distance) P-C4' energy: -113.159 flat angles C4'-P-C4' energy: -136.459 flat angles P-C4'-P energy: -92.846 tors. eta vs tors. theta energy: -180.217 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: 46 Temperature: 1.050000 Total energy: -2153.150160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.150160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.150160 (E_RNA) where: Base-Base interactions energy: -1546.793 where: short stacking energy: -604.215 Base-Backbone interact. energy: -2.082 local terms energy: -604.274693 where: bonds (distance) C4'-P energy: -104.661 bonds (distance) P-C4' energy: -107.692 flat angles C4'-P-C4' energy: -133.221 flat angles P-C4'-P energy: -88.805 tors. eta vs tors. theta energy: -169.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2122.385930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.385930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.385930 (E_RNA) where: Base-Base interactions energy: -1504.066 where: short stacking energy: -622.374 Base-Backbone interact. energy: -1.943 local terms energy: -616.377331 where: bonds (distance) C4'-P energy: -116.836 bonds (distance) P-C4' energy: -107.750 flat angles C4'-P-C4' energy: -140.346 flat angles P-C4'-P energy: -77.088 tors. eta vs tors. theta energy: -174.357 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: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1989.064792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.064792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.064792 (E_RNA) where: Base-Base interactions energy: -1399.543 where: short stacking energy: -560.130 Base-Backbone interact. energy: -0.629 local terms energy: -588.893593 where: bonds (distance) C4'-P energy: -104.152 bonds (distance) P-C4' energy: -122.658 flat angles C4'-P-C4' energy: -122.721 flat angles P-C4'-P energy: -87.594 tors. eta vs tors. theta energy: -151.769 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: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1847.763710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.763710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.763710 (E_RNA) where: Base-Base interactions energy: -1312.163 where: short stacking energy: -523.377 Base-Backbone interact. energy: 3.507 local terms energy: -539.107509 where: bonds (distance) C4'-P energy: -97.885 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -126.632 flat angles P-C4'-P energy: -74.060 tors. eta vs tors. theta energy: -139.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1833.007481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.007481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.007481 (E_RNA) where: Base-Base interactions energy: -1293.270 where: short stacking energy: -516.572 Base-Backbone interact. energy: 2.784 local terms energy: -542.520931 where: bonds (distance) C4'-P energy: -87.625 bonds (distance) P-C4' energy: -108.313 flat angles C4'-P-C4' energy: -122.882 flat angles P-C4'-P energy: -88.972 tors. eta vs tors. theta energy: -134.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1754.177061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.177061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.177061 (E_RNA) where: Base-Base interactions energy: -1224.153 where: short stacking energy: -473.624 Base-Backbone interact. energy: 11.828 local terms energy: -541.852330 where: bonds (distance) C4'-P energy: -103.183 bonds (distance) P-C4' energy: -118.180 flat angles C4'-P-C4' energy: -117.580 flat angles P-C4'-P energy: -78.854 tors. eta vs tors. theta energy: -124.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1366.156597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.156597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.156597 (E_RNA) where: Base-Base interactions energy: -903.468 where: short stacking energy: -377.764 Base-Backbone interact. energy: -1.312 local terms energy: -461.376488 where: bonds (distance) C4'-P energy: -117.066 bonds (distance) P-C4' energy: -94.335 flat angles C4'-P-C4' energy: -114.436 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -81.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2407.545145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.545145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.545145 (E_RNA) where: Base-Base interactions energy: -1723.426 where: short stacking energy: -689.860 Base-Backbone interact. energy: -2.650 local terms energy: -681.468906 where: bonds (distance) C4'-P energy: -122.016 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -152.910 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -189.897 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: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2332.561865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.561865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.561865 (E_RNA) where: Base-Base interactions energy: -1672.619 where: short stacking energy: -665.219 Base-Backbone interact. energy: 1.921 local terms energy: -661.864704 where: bonds (distance) C4'-P energy: -112.910 bonds (distance) P-C4' energy: -121.597 flat angles C4'-P-C4' energy: -138.250 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -188.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2244.428465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.428465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.428465 (E_RNA) where: Base-Base interactions energy: -1608.869 where: short stacking energy: -637.879 Base-Backbone interact. energy: -3.523 local terms energy: -632.036580 where: bonds (distance) C4'-P energy: -110.674 bonds (distance) P-C4' energy: -128.763 flat angles C4'-P-C4' energy: -127.548 flat angles P-C4'-P energy: -91.878 tors. eta vs tors. theta energy: -173.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2200.616457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.616457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.616457 (E_RNA) where: Base-Base interactions energy: -1569.183 where: short stacking energy: -621.103 Base-Backbone interact. energy: -1.053 local terms energy: -630.380696 where: bonds (distance) C4'-P energy: -112.409 bonds (distance) P-C4' energy: -120.805 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -84.396 tors. eta vs tors. theta energy: -177.009 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: 47 Temperature: 1.100000 Total energy: -2102.264735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.264735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.264735 (E_RNA) where: Base-Base interactions energy: -1496.179 where: short stacking energy: -596.534 Base-Backbone interact. energy: -0.704 local terms energy: -605.381422 where: bonds (distance) C4'-P energy: -114.142 bonds (distance) P-C4' energy: -105.618 flat angles C4'-P-C4' energy: -124.366 flat angles P-C4'-P energy: -92.229 tors. eta vs tors. theta energy: -169.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2005.333101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.333101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.333101 (E_RNA) where: Base-Base interactions energy: -1428.006 where: short stacking energy: -569.579 Base-Backbone interact. energy: 1.301 local terms energy: -578.627753 where: bonds (distance) C4'-P energy: -87.207 bonds (distance) P-C4' energy: -119.401 flat angles C4'-P-C4' energy: -127.007 flat angles P-C4'-P energy: -92.554 tors. eta vs tors. theta energy: -152.459 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: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1924.809437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.809437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.809437 (E_RNA) where: Base-Base interactions energy: -1374.176 where: short stacking energy: -517.030 Base-Backbone interact. energy: 2.047 local terms energy: -552.681060 where: bonds (distance) C4'-P energy: -99.559 bonds (distance) P-C4' energy: -125.054 flat angles C4'-P-C4' energy: -113.853 flat angles P-C4'-P energy: -88.533 tors. eta vs tors. theta energy: -125.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1835.636769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.636769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.636769 (E_RNA) where: Base-Base interactions energy: -1297.337 where: short stacking energy: -511.837 Base-Backbone interact. energy: 1.154 local terms energy: -539.453490 where: bonds (distance) C4'-P energy: -104.802 bonds (distance) P-C4' energy: -100.589 flat angles C4'-P-C4' energy: -120.320 flat angles P-C4'-P energy: -75.441 tors. eta vs tors. theta energy: -138.302 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: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1737.925979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.925979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.925979 (E_RNA) where: Base-Base interactions energy: -1207.748 where: short stacking energy: -476.893 Base-Backbone interact. energy: 4.588 local terms energy: -534.766160 where: bonds (distance) C4'-P energy: -114.680 bonds (distance) P-C4' energy: -104.217 flat angles C4'-P-C4' energy: -127.993 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: -120.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1373.244317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.244317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.244317 (E_RNA) where: Base-Base interactions energy: -952.055 where: short stacking energy: -378.808 Base-Backbone interact. energy: 2.974 local terms energy: -424.163408 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -94.787 flat angles C4'-P-C4' energy: -92.254 flat angles P-C4'-P energy: -80.533 tors. eta vs tors. theta energy: -80.259 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: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2380.134254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.134254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.134254 (E_RNA) where: Base-Base interactions energy: -1706.364 where: short stacking energy: -683.319 Base-Backbone interact. energy: -3.613 local terms energy: -670.157043 where: bonds (distance) C4'-P energy: -120.634 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -139.594 flat angles P-C4'-P energy: -92.372 tors. eta vs tors. theta energy: -193.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2348.114323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.114323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.114323 (E_RNA) where: Base-Base interactions energy: -1681.042 where: short stacking energy: -681.535 Base-Backbone interact. energy: -1.563 local terms energy: -665.508816 where: bonds (distance) C4'-P energy: -110.780 bonds (distance) P-C4' energy: -116.877 flat angles C4'-P-C4' energy: -146.199 flat angles P-C4'-P energy: -93.565 tors. eta vs tors. theta energy: -198.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2224.798756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.798756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.798756 (E_RNA) where: Base-Base interactions energy: -1589.816 where: short stacking energy: -636.805 Base-Backbone interact. energy: 0.276 local terms energy: -635.258306 where: bonds (distance) C4'-P energy: -120.529 bonds (distance) P-C4' energy: -114.890 flat angles C4'-P-C4' energy: -141.419 flat angles P-C4'-P energy: -83.140 tors. eta vs tors. theta energy: -175.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2219.916641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.916641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.916641 (E_RNA) where: Base-Base interactions energy: -1596.006 where: short stacking energy: -642.911 Base-Backbone interact. energy: -0.856 local terms energy: -623.054421 where: bonds (distance) C4'-P energy: -106.563 bonds (distance) P-C4' energy: -110.750 flat angles C4'-P-C4' energy: -130.998 flat angles P-C4'-P energy: -83.200 tors. eta vs tors. theta energy: -191.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2109.051092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.051092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.051092 (E_RNA) where: Base-Base interactions energy: -1517.006 where: short stacking energy: -571.349 Base-Backbone interact. energy: 1.165 local terms energy: -593.209181 where: bonds (distance) C4'-P energy: -99.624 bonds (distance) P-C4' energy: -100.825 flat angles C4'-P-C4' energy: -135.633 flat angles P-C4'-P energy: -99.717 tors. eta vs tors. theta energy: -157.410 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: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2010.990052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.990052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.990052 (E_RNA) where: Base-Base interactions energy: -1440.262 where: short stacking energy: -566.338 Base-Backbone interact. energy: -0.351 local terms energy: -570.377206 where: bonds (distance) C4'-P energy: -98.053 bonds (distance) P-C4' energy: -122.253 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -152.127 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: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1933.348862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.348862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.348862 (E_RNA) where: Base-Base interactions energy: -1368.930 where: short stacking energy: -524.024 Base-Backbone interact. energy: 0.777 local terms energy: -565.195766 where: bonds (distance) C4'-P energy: -82.385 bonds (distance) P-C4' energy: -121.509 flat angles C4'-P-C4' energy: -132.837 flat angles P-C4'-P energy: -86.278 tors. eta vs tors. theta energy: -142.187 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: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1787.478920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.478920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.478920 (E_RNA) where: Base-Base interactions energy: -1253.594 where: short stacking energy: -499.105 Base-Backbone interact. energy: 1.415 local terms energy: -535.299936 where: bonds (distance) C4'-P energy: -96.785 bonds (distance) P-C4' energy: -110.928 flat angles C4'-P-C4' energy: -115.543 flat angles P-C4'-P energy: -72.642 tors. eta vs tors. theta energy: -139.402 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: 9, replica: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1775.609733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.609733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.609733 (E_RNA) where: Base-Base interactions energy: -1263.079 where: short stacking energy: -490.551 Base-Backbone interact. energy: -0.109 local terms energy: -512.421626 where: bonds (distance) C4'-P energy: -88.204 bonds (distance) P-C4' energy: -90.434 flat angles C4'-P-C4' energy: -119.904 flat angles P-C4'-P energy: -78.805 tors. eta vs tors. theta energy: -135.075 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: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1359.390182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.390182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.390182 (E_RNA) where: Base-Base interactions energy: -931.926 where: short stacking energy: -393.319 Base-Backbone interact. energy: 0.483 local terms energy: -427.946879 where: bonds (distance) C4'-P energy: -83.526 bonds (distance) P-C4' energy: -92.358 flat angles C4'-P-C4' energy: -100.002 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -102.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2379.103950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.103950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.103950 (E_RNA) where: Base-Base interactions energy: -1687.957 where: short stacking energy: -692.186 Base-Backbone interact. energy: -3.532 local terms energy: -687.614707 where: bonds (distance) C4'-P energy: -119.897 bonds (distance) P-C4' energy: -134.368 flat angles C4'-P-C4' energy: -146.692 flat angles P-C4'-P energy: -91.988 tors. eta vs tors. theta energy: -194.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2325.446700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.446700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.446700 (E_RNA) where: Base-Base interactions energy: -1641.986 where: short stacking energy: -668.446 Base-Backbone interact. energy: -1.589 local terms energy: -681.871610 where: bonds (distance) C4'-P energy: -121.214 bonds (distance) P-C4' energy: -125.913 flat angles C4'-P-C4' energy: -147.189 flat angles P-C4'-P energy: -89.337 tors. eta vs tors. theta energy: -198.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2240.745266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.745266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.745266 (E_RNA) where: Base-Base interactions energy: -1588.363 where: short stacking energy: -629.276 Base-Backbone interact. energy: 0.959 local terms energy: -653.341630 where: bonds (distance) C4'-P energy: -113.914 bonds (distance) P-C4' energy: -128.763 flat angles C4'-P-C4' energy: -133.587 flat angles P-C4'-P energy: -94.755 tors. eta vs tors. theta energy: -182.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2217.741045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.741045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.741045 (E_RNA) where: Base-Base interactions energy: -1595.058 where: short stacking energy: -631.057 Base-Backbone interact. energy: -1.126 local terms energy: -621.556334 where: bonds (distance) C4'-P energy: -101.222 bonds (distance) P-C4' energy: -117.815 flat angles C4'-P-C4' energy: -138.446 flat angles P-C4'-P energy: -84.045 tors. eta vs tors. theta energy: -180.030 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: 49 Temperature: 1.100000 Total energy: -2092.627935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.627935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.627935 (E_RNA) where: Base-Base interactions energy: -1504.917 where: short stacking energy: -593.079 Base-Backbone interact. energy: -1.631 local terms energy: -586.079785 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -108.406 flat angles C4'-P-C4' energy: -130.921 flat angles P-C4'-P energy: -80.825 tors. eta vs tors. theta energy: -158.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2084.352219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.352219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.352219 (E_RNA) where: Base-Base interactions energy: -1461.948 where: short stacking energy: -589.961 Base-Backbone interact. energy: 3.478 local terms energy: -625.882722 where: bonds (distance) C4'-P energy: -111.337 bonds (distance) P-C4' energy: -109.514 flat angles C4'-P-C4' energy: -139.311 flat angles P-C4'-P energy: -89.830 tors. eta vs tors. theta energy: -175.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1887.489241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.489241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.489241 (E_RNA) where: Base-Base interactions energy: -1338.364 where: short stacking energy: -538.404 Base-Backbone interact. energy: 3.735 local terms energy: -552.859728 where: bonds (distance) C4'-P energy: -99.712 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -118.214 flat angles P-C4'-P energy: -79.225 tors. eta vs tors. theta energy: -142.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1856.437404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.437404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.437404 (E_RNA) where: Base-Base interactions energy: -1309.546 where: short stacking energy: -515.721 Base-Backbone interact. energy: 2.958 local terms energy: -549.850184 where: bonds (distance) C4'-P energy: -88.721 bonds (distance) P-C4' energy: -102.872 flat angles C4'-P-C4' energy: -127.923 flat angles P-C4'-P energy: -84.616 tors. eta vs tors. theta energy: -145.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1749.672137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.672137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.672137 (E_RNA) where: Base-Base interactions energy: -1243.091 where: short stacking energy: -498.744 Base-Backbone interact. energy: -1.429 local terms energy: -505.151646 where: bonds (distance) C4'-P energy: -101.823 bonds (distance) P-C4' energy: -97.206 flat angles C4'-P-C4' energy: -104.075 flat angles P-C4'-P energy: -66.907 tors. eta vs tors. theta energy: -135.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1481.335064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.335064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.335064 (E_RNA) where: Base-Base interactions energy: -1011.914 where: short stacking energy: -421.096 Base-Backbone interact. energy: -0.228 local terms energy: -469.193776 where: bonds (distance) C4'-P energy: -89.813 bonds (distance) P-C4' energy: -108.740 flat angles C4'-P-C4' energy: -111.019 flat angles P-C4'-P energy: -50.322 tors. eta vs tors. theta energy: -109.300 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: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2367.695497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.695497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.695497 (E_RNA) where: Base-Base interactions energy: -1701.951 where: short stacking energy: -686.443 Base-Backbone interact. energy: -0.734 local terms energy: -665.010739 where: bonds (distance) C4'-P energy: -121.722 bonds (distance) P-C4' energy: -125.730 flat angles C4'-P-C4' energy: -138.576 flat angles P-C4'-P energy: -94.673 tors. eta vs tors. theta energy: -184.310 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: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2322.882778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.882778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.882778 (E_RNA) where: Base-Base interactions energy: -1674.712 where: short stacking energy: -680.261 Base-Backbone interact. energy: 0.207 local terms energy: -648.377703 where: bonds (distance) C4'-P energy: -96.551 bonds (distance) P-C4' energy: -126.203 flat angles C4'-P-C4' energy: -142.960 flat angles P-C4'-P energy: -95.022 tors. eta vs tors. theta energy: -187.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2227.569598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.569598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.569598 (E_RNA) where: Base-Base interactions energy: -1604.670 where: short stacking energy: -630.774 Base-Backbone interact. energy: -1.936 local terms energy: -620.963240 where: bonds (distance) C4'-P energy: -106.139 bonds (distance) P-C4' energy: -129.166 flat angles C4'-P-C4' energy: -138.557 flat angles P-C4'-P energy: -79.709 tors. eta vs tors. theta energy: -167.393 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: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2223.552380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.552380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.552380 (E_RNA) where: Base-Base interactions energy: -1588.183 where: short stacking energy: -617.042 Base-Backbone interact. energy: 0.953 local terms energy: -636.322202 where: bonds (distance) C4'-P energy: -118.920 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -131.890 flat angles P-C4'-P energy: -91.952 tors. eta vs tors. theta energy: -161.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2109.136488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.136488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.136488 (E_RNA) where: Base-Base interactions energy: -1506.515 where: short stacking energy: -587.238 Base-Backbone interact. energy: -1.811 local terms energy: -600.810617 where: bonds (distance) C4'-P energy: -110.532 bonds (distance) P-C4' energy: -111.026 flat angles C4'-P-C4' energy: -140.784 flat angles P-C4'-P energy: -90.819 tors. eta vs tors. theta energy: -147.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2055.025323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.025323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.025323 (E_RNA) where: Base-Base interactions energy: -1451.252 where: short stacking energy: -601.269 Base-Backbone interact. energy: -1.746 local terms energy: -602.027235 where: bonds (distance) C4'-P energy: -120.887 bonds (distance) P-C4' energy: -107.915 flat angles C4'-P-C4' energy: -136.325 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -163.746 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: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1930.838872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.838872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.838872 (E_RNA) where: Base-Base interactions energy: -1398.313 where: short stacking energy: -560.902 Base-Backbone interact. energy: 3.933 local terms energy: -536.458553 where: bonds (distance) C4'-P energy: -85.292 bonds (distance) P-C4' energy: -114.796 flat angles C4'-P-C4' energy: -113.933 flat angles P-C4'-P energy: -73.567 tors. eta vs tors. theta energy: -148.870 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: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1881.508283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.508283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.508283 (E_RNA) where: Base-Base interactions energy: -1339.412 where: short stacking energy: -530.840 Base-Backbone interact. energy: 3.224 local terms energy: -545.319951 where: bonds (distance) C4'-P energy: -106.804 bonds (distance) P-C4' energy: -95.810 flat angles C4'-P-C4' energy: -121.171 flat angles P-C4'-P energy: -71.466 tors. eta vs tors. theta energy: -150.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1745.446933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.446933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.446933 (E_RNA) where: Base-Base interactions energy: -1244.149 where: short stacking energy: -476.198 Base-Backbone interact. energy: 3.350 local terms energy: -504.647100 where: bonds (distance) C4'-P energy: -98.649 bonds (distance) P-C4' energy: -103.966 flat angles C4'-P-C4' energy: -109.638 flat angles P-C4'-P energy: -62.056 tors. eta vs tors. theta energy: -130.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1467.547235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.547235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.547235 (E_RNA) where: Base-Base interactions energy: -994.974 where: short stacking energy: -412.118 Base-Backbone interact. energy: -0.364 local terms energy: -472.208948 where: bonds (distance) C4'-P energy: -103.817 bonds (distance) P-C4' energy: -91.060 flat angles C4'-P-C4' energy: -103.318 flat angles P-C4'-P energy: -64.496 tors. eta vs tors. theta energy: -109.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2378.008469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.008469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.008469 (E_RNA) where: Base-Base interactions energy: -1688.527 where: short stacking energy: -686.888 Base-Backbone interact. energy: -1.401 local terms energy: -688.080846 where: bonds (distance) C4'-P energy: -119.951 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -138.738 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -196.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2314.897599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.897599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.897599 (E_RNA) where: Base-Base interactions energy: -1657.149 where: short stacking energy: -652.848 Base-Backbone interact. energy: 0.298 local terms energy: -658.046616 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -127.074 flat angles C4'-P-C4' energy: -141.141 flat angles P-C4'-P energy: -89.563 tors. eta vs tors. theta energy: -176.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2246.410929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.410929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.410929 (E_RNA) where: Base-Base interactions energy: -1610.144 where: short stacking energy: -622.436 Base-Backbone interact. energy: -3.278 local terms energy: -632.988936 where: bonds (distance) C4'-P energy: -113.333 bonds (distance) P-C4' energy: -125.020 flat angles C4'-P-C4' energy: -140.479 flat angles P-C4'-P energy: -84.932 tors. eta vs tors. theta energy: -169.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2199.964190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.964190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.964190 (E_RNA) where: Base-Base interactions energy: -1577.816 where: short stacking energy: -616.863 Base-Backbone interact. energy: 0.970 local terms energy: -623.118476 where: bonds (distance) C4'-P energy: -112.017 bonds (distance) P-C4' energy: -117.200 flat angles C4'-P-C4' energy: -135.486 flat angles P-C4'-P energy: -89.795 tors. eta vs tors. theta energy: -168.620 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: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2086.756867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.756867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.756867 (E_RNA) where: Base-Base interactions energy: -1515.764 where: short stacking energy: -595.386 Base-Backbone interact. energy: -3.760 local terms energy: -567.232787 where: bonds (distance) C4'-P energy: -98.274 bonds (distance) P-C4' energy: -101.630 flat angles C4'-P-C4' energy: -125.910 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -154.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2044.300900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.300900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.300900 (E_RNA) where: Base-Base interactions energy: -1476.343 where: short stacking energy: -582.259 Base-Backbone interact. energy: 2.847 local terms energy: -570.804548 where: bonds (distance) C4'-P energy: -105.067 bonds (distance) P-C4' energy: -108.599 flat angles C4'-P-C4' energy: -126.506 flat angles P-C4'-P energy: -68.221 tors. eta vs tors. theta energy: -162.411 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: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1966.744497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.744497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.744497 (E_RNA) where: Base-Base interactions energy: -1395.404 where: short stacking energy: -564.164 Base-Backbone interact. energy: -0.985 local terms energy: -570.356171 where: bonds (distance) C4'-P energy: -113.925 bonds (distance) P-C4' energy: -110.058 flat angles C4'-P-C4' energy: -123.957 flat angles P-C4'-P energy: -64.604 tors. eta vs tors. theta energy: -157.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1802.899877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.899877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.899877 (E_RNA) where: Base-Base interactions energy: -1300.836 where: short stacking energy: -488.318 Base-Backbone interact. energy: -0.394 local terms energy: -501.670140 where: bonds (distance) C4'-P energy: -86.071 bonds (distance) P-C4' energy: -109.600 flat angles C4'-P-C4' energy: -111.934 flat angles P-C4'-P energy: -79.105 tors. eta vs tors. theta energy: -114.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1739.164401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.164401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.164401 (E_RNA) where: Base-Base interactions energy: -1221.435 where: short stacking energy: -488.407 Base-Backbone interact. energy: -1.189 local terms energy: -516.540687 where: bonds (distance) C4'-P energy: -93.404 bonds (distance) P-C4' energy: -105.471 flat angles C4'-P-C4' energy: -122.996 flat angles P-C4'-P energy: -66.099 tors. eta vs tors. theta energy: -128.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1448.963627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.963627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.963627 (E_RNA) where: Base-Base interactions energy: -981.915 where: short stacking energy: -408.581 Base-Backbone interact. energy: 0.150 local terms energy: -467.198061 where: bonds (distance) C4'-P energy: -107.942 bonds (distance) P-C4' energy: -93.528 flat angles C4'-P-C4' energy: -111.729 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -101.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2390.045002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.045002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.045002 (E_RNA) where: Base-Base interactions energy: -1694.638 where: short stacking energy: -696.343 Base-Backbone interact. energy: -2.801 local terms energy: -692.605963 where: bonds (distance) C4'-P energy: -131.460 bonds (distance) P-C4' energy: -128.454 flat angles C4'-P-C4' energy: -145.623 flat angles P-C4'-P energy: -97.414 tors. eta vs tors. theta energy: -189.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2313.692045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.692045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.692045 (E_RNA) where: Base-Base interactions energy: -1644.607 where: short stacking energy: -661.208 Base-Backbone interact. energy: 2.989 local terms energy: -672.073871 where: bonds (distance) C4'-P energy: -118.073 bonds (distance) P-C4' energy: -130.269 flat angles C4'-P-C4' energy: -141.375 flat angles P-C4'-P energy: -96.649 tors. eta vs tors. theta energy: -185.709 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: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2248.470259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.470259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.470259 (E_RNA) where: Base-Base interactions energy: -1618.363 where: short stacking energy: -632.369 Base-Backbone interact. energy: -2.152 local terms energy: -627.955534 where: bonds (distance) C4'-P energy: -111.876 bonds (distance) P-C4' energy: -123.193 flat angles C4'-P-C4' energy: -134.873 flat angles P-C4'-P energy: -95.298 tors. eta vs tors. theta energy: -162.715 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: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2214.677947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.677947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.677947 (E_RNA) where: Base-Base interactions energy: -1584.415 where: short stacking energy: -628.144 Base-Backbone interact. energy: 5.160 local terms energy: -635.422623 where: bonds (distance) C4'-P energy: -100.596 bonds (distance) P-C4' energy: -119.973 flat angles C4'-P-C4' energy: -138.143 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -181.047 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: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2110.429993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.429993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.429993 (E_RNA) where: Base-Base interactions energy: -1504.171 where: short stacking energy: -598.455 Base-Backbone interact. energy: -3.823 local terms energy: -602.436057 where: bonds (distance) C4'-P energy: -109.118 bonds (distance) P-C4' energy: -118.308 flat angles C4'-P-C4' energy: -125.867 flat angles P-C4'-P energy: -83.965 tors. eta vs tors. theta energy: -165.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2041.820690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.820690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.820690 (E_RNA) where: Base-Base interactions energy: -1467.095 where: short stacking energy: -581.288 Base-Backbone interact. energy: -2.663 local terms energy: -572.062834 where: bonds (distance) C4'-P energy: -93.871 bonds (distance) P-C4' energy: -88.904 flat angles C4'-P-C4' energy: -133.707 flat angles P-C4'-P energy: -94.438 tors. eta vs tors. theta energy: -161.143 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: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1966.282663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.282663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.282663 (E_RNA) where: Base-Base interactions energy: -1396.138 where: short stacking energy: -565.233 Base-Backbone interact. energy: -0.622 local terms energy: -569.521920 where: bonds (distance) C4'-P energy: -93.638 bonds (distance) P-C4' energy: -104.276 flat angles C4'-P-C4' energy: -128.777 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -159.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1736.777635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.777635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.777635 (E_RNA) where: Base-Base interactions energy: -1222.309 where: short stacking energy: -475.472 Base-Backbone interact. energy: 3.722 local terms energy: -518.190387 where: bonds (distance) C4'-P energy: -94.351 bonds (distance) P-C4' energy: -102.504 flat angles C4'-P-C4' energy: -133.488 flat angles P-C4'-P energy: -73.218 tors. eta vs tors. theta energy: -114.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1746.955974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.955974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.955974 (E_RNA) where: Base-Base interactions energy: -1221.860 where: short stacking energy: -505.331 Base-Backbone interact. energy: 1.119 local terms energy: -526.214771 where: bonds (distance) C4'-P energy: -98.011 bonds (distance) P-C4' energy: -111.762 flat angles C4'-P-C4' energy: -100.656 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -126.459 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: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1482.681201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.681201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.681201 (E_RNA) where: Base-Base interactions energy: -1018.932 where: short stacking energy: -427.449 Base-Backbone interact. energy: -1.117 local terms energy: -462.631724 where: bonds (distance) C4'-P energy: -88.946 bonds (distance) P-C4' energy: -92.574 flat angles C4'-P-C4' energy: -106.926 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -96.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2363.792319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.792319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.792319 (E_RNA) where: Base-Base interactions energy: -1671.542 where: short stacking energy: -673.503 Base-Backbone interact. energy: -2.640 local terms energy: -689.610729 where: bonds (distance) C4'-P energy: -117.852 bonds (distance) P-C4' energy: -127.907 flat angles C4'-P-C4' energy: -149.256 flat angles P-C4'-P energy: -107.058 tors. eta vs tors. theta energy: -187.538 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: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2287.816434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.816434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.816434 (E_RNA) where: Base-Base interactions energy: -1630.068 where: short stacking energy: -651.699 Base-Backbone interact. energy: -1.042 local terms energy: -656.705742 where: bonds (distance) C4'-P energy: -115.100 bonds (distance) P-C4' energy: -131.070 flat angles C4'-P-C4' energy: -141.770 flat angles P-C4'-P energy: -91.795 tors. eta vs tors. theta energy: -176.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2252.310925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.310925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.310925 (E_RNA) where: Base-Base interactions energy: -1621.572 where: short stacking energy: -639.412 Base-Backbone interact. energy: 2.251 local terms energy: -632.989906 where: bonds (distance) C4'-P energy: -112.545 bonds (distance) P-C4' energy: -115.645 flat angles C4'-P-C4' energy: -141.718 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -174.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2249.229429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.229429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.229429 (E_RNA) where: Base-Base interactions energy: -1633.318 where: short stacking energy: -647.297 Base-Backbone interact. energy: 1.370 local terms energy: -617.281456 where: bonds (distance) C4'-P energy: -114.868 bonds (distance) P-C4' energy: -106.926 flat angles C4'-P-C4' energy: -135.939 flat angles P-C4'-P energy: -82.537 tors. eta vs tors. theta energy: -177.012 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: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2092.992164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.992164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.992164 (E_RNA) where: Base-Base interactions energy: -1484.259 where: short stacking energy: -593.214 Base-Backbone interact. energy: 2.089 local terms energy: -610.822847 where: bonds (distance) C4'-P energy: -104.222 bonds (distance) P-C4' energy: -112.108 flat angles C4'-P-C4' energy: -147.431 flat angles P-C4'-P energy: -80.319 tors. eta vs tors. theta energy: -166.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2052.152028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.152028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.152028 (E_RNA) where: Base-Base interactions energy: -1480.740 where: short stacking energy: -566.122 Base-Backbone interact. energy: 0.090 local terms energy: -571.501440 where: bonds (distance) C4'-P energy: -100.620 bonds (distance) P-C4' energy: -102.989 flat angles C4'-P-C4' energy: -134.846 flat angles P-C4'-P energy: -91.610 tors. eta vs tors. theta energy: -141.437 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: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1995.695775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.695775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.695775 (E_RNA) where: Base-Base interactions energy: -1417.680 where: short stacking energy: -540.459 Base-Backbone interact. energy: -2.295 local terms energy: -575.720611 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -106.176 flat angles C4'-P-C4' energy: -119.589 flat angles P-C4'-P energy: -93.151 tors. eta vs tors. theta energy: -158.512 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: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1810.085041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.085041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.085041 (E_RNA) where: Base-Base interactions energy: -1289.322 where: short stacking energy: -532.717 Base-Backbone interact. energy: -1.849 local terms energy: -518.913601 where: bonds (distance) C4'-P energy: -98.773 bonds (distance) P-C4' energy: -105.082 flat angles C4'-P-C4' energy: -101.830 flat angles P-C4'-P energy: -78.265 tors. eta vs tors. theta energy: -134.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1778.617250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.617250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.617250 (E_RNA) where: Base-Base interactions energy: -1276.599 where: short stacking energy: -503.064 Base-Backbone interact. energy: -0.459 local terms energy: -501.559176 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -104.450 flat angles C4'-P-C4' energy: -106.233 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -127.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1461.851887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.851887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.851887 (E_RNA) where: Base-Base interactions energy: -991.089 where: short stacking energy: -400.758 Base-Backbone interact. energy: 0.435 local terms energy: -471.198293 where: bonds (distance) C4'-P energy: -92.422 bonds (distance) P-C4' energy: -102.622 flat angles C4'-P-C4' energy: -100.699 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -101.877 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: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2400.175418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.175418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.175418 (E_RNA) where: Base-Base interactions energy: -1738.508 where: short stacking energy: -666.538 Base-Backbone interact. energy: 0.022 local terms energy: -661.689311 where: bonds (distance) C4'-P energy: -122.751 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -137.413 flat angles P-C4'-P energy: -97.641 tors. eta vs tors. theta energy: -181.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2344.177125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.177125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.177125 (E_RNA) where: Base-Base interactions energy: -1671.725 where: short stacking energy: -644.164 Base-Backbone interact. energy: -1.940 local terms energy: -670.511416 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -126.421 flat angles C4'-P-C4' energy: -140.352 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -183.383 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: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2280.941863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.941863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.941863 (E_RNA) where: Base-Base interactions energy: -1634.465 where: short stacking energy: -620.283 Base-Backbone interact. energy: -1.759 local terms energy: -644.717558 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -117.815 flat angles C4'-P-C4' energy: -135.718 flat angles P-C4'-P energy: -91.693 tors. eta vs tors. theta energy: -173.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2210.895654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.895654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.895654 (E_RNA) where: Base-Base interactions energy: -1608.598 where: short stacking energy: -652.967 Base-Backbone interact. energy: 0.739 local terms energy: -603.035889 where: bonds (distance) C4'-P energy: -111.869 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -129.323 flat angles P-C4'-P energy: -92.974 tors. eta vs tors. theta energy: -168.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2110.922713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.922713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.922713 (E_RNA) where: Base-Base interactions energy: -1524.101 where: short stacking energy: -609.696 Base-Backbone interact. energy: 0.136 local terms energy: -586.957672 where: bonds (distance) C4'-P energy: -99.992 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -133.783 flat angles P-C4'-P energy: -75.947 tors. eta vs tors. theta energy: -174.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2089.225354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.225354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.225354 (E_RNA) where: Base-Base interactions energy: -1488.668 where: short stacking energy: -580.911 Base-Backbone interact. energy: -3.075 local terms energy: -597.482060 where: bonds (distance) C4'-P energy: -101.169 bonds (distance) P-C4' energy: -110.642 flat angles C4'-P-C4' energy: -127.277 flat angles P-C4'-P energy: -92.130 tors. eta vs tors. theta energy: -166.264 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: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1976.754688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.754688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.754688 (E_RNA) where: Base-Base interactions energy: -1413.437 where: short stacking energy: -570.231 Base-Backbone interact. energy: -0.887 local terms energy: -562.430822 where: bonds (distance) C4'-P energy: -116.309 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -117.291 flat angles P-C4'-P energy: -78.325 tors. eta vs tors. theta energy: -156.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1809.065738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.065738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.065738 (E_RNA) where: Base-Base interactions energy: -1242.515 where: short stacking energy: -518.212 Base-Backbone interact. energy: 0.211 local terms energy: -566.761781 where: bonds (distance) C4'-P energy: -110.617 bonds (distance) P-C4' energy: -103.529 flat angles C4'-P-C4' energy: -132.286 flat angles P-C4'-P energy: -87.368 tors. eta vs tors. theta energy: -132.962 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: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1751.294367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.294367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.294367 (E_RNA) where: Base-Base interactions energy: -1208.877 where: short stacking energy: -461.460 Base-Backbone interact. energy: 1.718 local terms energy: -544.135417 where: bonds (distance) C4'-P energy: -105.446 bonds (distance) P-C4' energy: -103.409 flat angles C4'-P-C4' energy: -116.116 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: -118.517 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: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1483.914730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.914730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.914730 (E_RNA) where: Base-Base interactions energy: -1022.735 where: short stacking energy: -434.540 Base-Backbone interact. energy: -1.964 local terms energy: -459.216227 where: bonds (distance) C4'-P energy: -108.283 bonds (distance) P-C4' energy: -93.771 flat angles C4'-P-C4' energy: -105.513 flat angles P-C4'-P energy: -55.630 tors. eta vs tors. theta energy: -96.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2405.703345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.703345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.703345 (E_RNA) where: Base-Base interactions energy: -1722.172 where: short stacking energy: -679.154 Base-Backbone interact. energy: -3.043 local terms energy: -680.487780 where: bonds (distance) C4'-P energy: -127.729 bonds (distance) P-C4' energy: -117.503 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -102.647 tors. eta vs tors. theta energy: -186.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2349.426697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.426697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.426697 (E_RNA) where: Base-Base interactions energy: -1678.933 where: short stacking energy: -665.775 Base-Backbone interact. energy: -2.652 local terms energy: -667.841935 where: bonds (distance) C4'-P energy: -118.168 bonds (distance) P-C4' energy: -126.780 flat angles C4'-P-C4' energy: -136.773 flat angles P-C4'-P energy: -102.928 tors. eta vs tors. theta energy: -183.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2321.701564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.701564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.701564 (E_RNA) where: Base-Base interactions energy: -1666.868 where: short stacking energy: -647.313 Base-Backbone interact. energy: 0.055 local terms energy: -654.888527 where: bonds (distance) C4'-P energy: -120.151 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -142.849 flat angles P-C4'-P energy: -93.227 tors. eta vs tors. theta energy: -188.833 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: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2213.485232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.485232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.485232 (E_RNA) where: Base-Base interactions energy: -1597.068 where: short stacking energy: -616.999 Base-Backbone interact. energy: 0.320 local terms energy: -616.737151 where: bonds (distance) C4'-P energy: -119.124 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -127.743 flat angles P-C4'-P energy: -98.666 tors. eta vs tors. theta energy: -163.194 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: 55 Temperature: 1.100000 Total energy: -2124.817577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.817577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.817577 (E_RNA) where: Base-Base interactions energy: -1511.589 where: short stacking energy: -604.119 Base-Backbone interact. energy: 1.735 local terms energy: -614.963290 where: bonds (distance) C4'-P energy: -113.275 bonds (distance) P-C4' energy: -120.791 flat angles C4'-P-C4' energy: -129.891 flat angles P-C4'-P energy: -83.057 tors. eta vs tors. theta energy: -167.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2094.822277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.822277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.822277 (E_RNA) where: Base-Base interactions energy: -1516.959 where: short stacking energy: -581.439 Base-Backbone interact. energy: -2.383 local terms energy: -575.480139 where: bonds (distance) C4'-P energy: -98.793 bonds (distance) P-C4' energy: -113.715 flat angles C4'-P-C4' energy: -122.724 flat angles P-C4'-P energy: -76.322 tors. eta vs tors. theta energy: -163.926 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: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -2056.966315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.966315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.966315 (E_RNA) where: Base-Base interactions energy: -1478.370 where: short stacking energy: -574.488 Base-Backbone interact. energy: 1.031 local terms energy: -579.628004 where: bonds (distance) C4'-P energy: -93.666 bonds (distance) P-C4' energy: -117.260 flat angles C4'-P-C4' energy: -124.492 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -170.796 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: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1806.860644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.860644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.860644 (E_RNA) where: Base-Base interactions energy: -1295.385 where: short stacking energy: -501.121 Base-Backbone interact. energy: -1.885 local terms energy: -509.591375 where: bonds (distance) C4'-P energy: -96.878 bonds (distance) P-C4' energy: -100.093 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -73.972 tors. eta vs tors. theta energy: -129.036 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: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1750.104499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.104499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.104499 (E_RNA) where: Base-Base interactions energy: -1239.758 where: short stacking energy: -494.946 Base-Backbone interact. energy: 2.790 local terms energy: -513.135671 where: bonds (distance) C4'-P energy: -92.868 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -99.464 flat angles P-C4'-P energy: -73.075 tors. eta vs tors. theta energy: -136.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1493.201944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.201944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.201944 (E_RNA) where: Base-Base interactions energy: -1025.865 where: short stacking energy: -423.017 Base-Backbone interact. energy: 5.445 local terms energy: -472.781945 where: bonds (distance) C4'-P energy: -95.492 bonds (distance) P-C4' energy: -102.361 flat angles C4'-P-C4' energy: -97.541 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: -99.851 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: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2411.015147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.015147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.015147 (E_RNA) where: Base-Base interactions energy: -1752.961 where: short stacking energy: -693.012 Base-Backbone interact. energy: -4.690 local terms energy: -653.364444 where: bonds (distance) C4'-P energy: -110.593 bonds (distance) P-C4' energy: -113.614 flat angles C4'-P-C4' energy: -140.297 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -191.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2362.786879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.786879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.786879 (E_RNA) where: Base-Base interactions energy: -1694.410 where: short stacking energy: -671.566 Base-Backbone interact. energy: 2.385 local terms energy: -670.761729 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -131.446 flat angles C4'-P-C4' energy: -139.203 flat angles P-C4'-P energy: -91.574 tors. eta vs tors. theta energy: -183.936 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: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2364.799723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.799723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.799723 (E_RNA) where: Base-Base interactions energy: -1704.923 where: short stacking energy: -660.802 Base-Backbone interact. energy: 2.287 local terms energy: -662.163886 where: bonds (distance) C4'-P energy: -116.370 bonds (distance) P-C4' energy: -114.995 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -99.037 tors. eta vs tors. theta energy: -178.647 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: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2163.708308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.708308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.708308 (E_RNA) where: Base-Base interactions energy: -1536.587 where: short stacking energy: -581.690 Base-Backbone interact. energy: -2.912 local terms energy: -624.208777 where: bonds (distance) C4'-P energy: -122.629 bonds (distance) P-C4' energy: -123.112 flat angles C4'-P-C4' energy: -135.855 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -166.347 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: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2152.259171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.259171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.259171 (E_RNA) where: Base-Base interactions energy: -1532.105 where: short stacking energy: -613.813 Base-Backbone interact. energy: 3.036 local terms energy: -623.189967 where: bonds (distance) C4'-P energy: -93.786 bonds (distance) P-C4' energy: -128.768 flat angles C4'-P-C4' energy: -138.262 flat angles P-C4'-P energy: -90.984 tors. eta vs tors. theta energy: -171.390 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: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2115.797005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.797005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.797005 (E_RNA) where: Base-Base interactions energy: -1517.896 where: short stacking energy: -591.553 Base-Backbone interact. energy: 0.664 local terms energy: -598.565381 where: bonds (distance) C4'-P energy: -105.865 bonds (distance) P-C4' energy: -127.874 flat angles C4'-P-C4' energy: -123.460 flat angles P-C4'-P energy: -80.187 tors. eta vs tors. theta energy: -161.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -2049.639517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.639517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.639517 (E_RNA) where: Base-Base interactions energy: -1451.043 where: short stacking energy: -603.893 Base-Backbone interact. energy: 3.685 local terms energy: -602.282161 where: bonds (distance) C4'-P energy: -100.604 bonds (distance) P-C4' energy: -103.533 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -168.832 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: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1824.136596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.136596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.136596 (E_RNA) where: Base-Base interactions energy: -1267.592 where: short stacking energy: -486.788 Base-Backbone interact. energy: -1.655 local terms energy: -554.889262 where: bonds (distance) C4'-P energy: -101.709 bonds (distance) P-C4' energy: -113.961 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -79.425 tors. eta vs tors. theta energy: -138.535 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: 56 Temperature: 1.300000 Total energy: -1763.932190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.932190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.932190 (E_RNA) where: Base-Base interactions energy: -1251.750 where: short stacking energy: -505.657 Base-Backbone interact. energy: 5.325 local terms energy: -517.507346 where: bonds (distance) C4'-P energy: -105.616 bonds (distance) P-C4' energy: -91.577 flat angles C4'-P-C4' energy: -121.851 flat angles P-C4'-P energy: -64.475 tors. eta vs tors. theta energy: -133.988 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: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1480.255616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.255616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.255616 (E_RNA) where: Base-Base interactions energy: -1035.014 where: short stacking energy: -418.519 Base-Backbone interact. energy: 0.532 local terms energy: -445.773419 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -99.807 flat angles C4'-P-C4' energy: -111.020 flat angles P-C4'-P energy: -66.926 tors. eta vs tors. theta energy: -83.766 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: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2427.222559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.222559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.222559 (E_RNA) where: Base-Base interactions energy: -1736.993 where: short stacking energy: -686.645 Base-Backbone interact. energy: -4.439 local terms energy: -685.790757 where: bonds (distance) C4'-P energy: -122.211 bonds (distance) P-C4' energy: -135.858 flat angles C4'-P-C4' energy: -144.809 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -189.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2382.238718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.238718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.238718 (E_RNA) where: Base-Base interactions energy: -1737.977 where: short stacking energy: -686.817 Base-Backbone interact. energy: -3.374 local terms energy: -640.888395 where: bonds (distance) C4'-P energy: -121.194 bonds (distance) P-C4' energy: -106.753 flat angles C4'-P-C4' energy: -136.716 flat angles P-C4'-P energy: -96.853 tors. eta vs tors. theta energy: -179.372 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: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2282.168842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.168842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.168842 (E_RNA) where: Base-Base interactions energy: -1628.705 where: short stacking energy: -643.652 Base-Backbone interact. energy: -2.252 local terms energy: -651.212191 where: bonds (distance) C4'-P energy: -113.102 bonds (distance) P-C4' energy: -113.300 flat angles C4'-P-C4' energy: -142.650 flat angles P-C4'-P energy: -94.508 tors. eta vs tors. theta energy: -187.652 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: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2229.525780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.525780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.525780 (E_RNA) where: Base-Base interactions energy: -1592.402 where: short stacking energy: -630.044 Base-Backbone interact. energy: -3.759 local terms energy: -633.364912 where: bonds (distance) C4'-P energy: -106.402 bonds (distance) P-C4' energy: -113.213 flat angles C4'-P-C4' energy: -140.024 flat angles P-C4'-P energy: -91.371 tors. eta vs tors. theta energy: -182.355 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: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2132.533768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.533768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.533768 (E_RNA) where: Base-Base interactions energy: -1531.192 where: short stacking energy: -611.701 Base-Backbone interact. energy: -0.773 local terms energy: -600.568938 where: bonds (distance) C4'-P energy: -104.804 bonds (distance) P-C4' energy: -111.389 flat angles C4'-P-C4' energy: -129.484 flat angles P-C4'-P energy: -84.880 tors. eta vs tors. theta energy: -170.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2110.542779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.542779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.542779 (E_RNA) where: Base-Base interactions energy: -1496.824 where: short stacking energy: -573.045 Base-Backbone interact. energy: -0.530 local terms energy: -613.188375 where: bonds (distance) C4'-P energy: -113.099 bonds (distance) P-C4' energy: -114.987 flat angles C4'-P-C4' energy: -131.099 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -160.235 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: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -2062.604393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.604393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.604393 (E_RNA) where: Base-Base interactions energy: -1454.828 where: short stacking energy: -567.280 Base-Backbone interact. energy: -1.033 local terms energy: -606.743354 where: bonds (distance) C4'-P energy: -108.230 bonds (distance) P-C4' energy: -124.632 flat angles C4'-P-C4' energy: -130.715 flat angles P-C4'-P energy: -88.395 tors. eta vs tors. theta energy: -154.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1832.116893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.116893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.116893 (E_RNA) where: Base-Base interactions energy: -1297.523 where: short stacking energy: -509.748 Base-Backbone interact. energy: -1.241 local terms energy: -533.353129 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -102.474 flat angles C4'-P-C4' energy: -111.455 flat angles P-C4'-P energy: -61.044 tors. eta vs tors. theta energy: -151.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1696.129177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.129177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.129177 (E_RNA) where: Base-Base interactions energy: -1198.523 where: short stacking energy: -490.161 Base-Backbone interact. energy: -1.773 local terms energy: -495.833019 where: bonds (distance) C4'-P energy: -83.361 bonds (distance) P-C4' energy: -104.469 flat angles C4'-P-C4' energy: -106.216 flat angles P-C4'-P energy: -78.627 tors. eta vs tors. theta energy: -123.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1565.531043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.531043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.531043 (E_RNA) where: Base-Base interactions energy: -1065.757 where: short stacking energy: -436.365 Base-Backbone interact. energy: -1.089 local terms energy: -498.685624 where: bonds (distance) C4'-P energy: -99.542 bonds (distance) P-C4' energy: -102.193 flat angles C4'-P-C4' energy: -98.954 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -122.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2405.491117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.491117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.491117 (E_RNA) where: Base-Base interactions energy: -1714.741 where: short stacking energy: -693.024 Base-Backbone interact. energy: 0.722 local terms energy: -691.472060 where: bonds (distance) C4'-P energy: -119.950 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -143.365 flat angles P-C4'-P energy: -94.858 tors. eta vs tors. theta energy: -198.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2375.232912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.232912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.232912 (E_RNA) where: Base-Base interactions energy: -1703.595 where: short stacking energy: -670.292 Base-Backbone interact. energy: -0.767 local terms energy: -670.871791 where: bonds (distance) C4'-P energy: -126.736 bonds (distance) P-C4' energy: -128.272 flat angles C4'-P-C4' energy: -146.858 flat angles P-C4'-P energy: -98.350 tors. eta vs tors. theta energy: -170.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2269.965384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.965384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.965384 (E_RNA) where: Base-Base interactions energy: -1619.499 where: short stacking energy: -625.798 Base-Backbone interact. energy: -2.120 local terms energy: -648.346826 where: bonds (distance) C4'-P energy: -125.105 bonds (distance) P-C4' energy: -128.785 flat angles C4'-P-C4' energy: -128.021 flat angles P-C4'-P energy: -93.774 tors. eta vs tors. theta energy: -172.662 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: 58 Temperature: 1.050000 Total energy: -2181.771784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.771784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.771784 (E_RNA) where: Base-Base interactions energy: -1595.278 where: short stacking energy: -627.211 Base-Backbone interact. energy: -1.167 local terms energy: -585.327397 where: bonds (distance) C4'-P energy: -103.531 bonds (distance) P-C4' energy: -104.601 flat angles C4'-P-C4' energy: -131.591 flat angles P-C4'-P energy: -76.952 tors. eta vs tors. theta energy: -168.652 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: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2149.946642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.946642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.946642 (E_RNA) where: Base-Base interactions energy: -1548.113 where: short stacking energy: -591.423 Base-Backbone interact. energy: 0.031 local terms energy: -601.864651 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -109.720 flat angles C4'-P-C4' energy: -127.791 flat angles P-C4'-P energy: -80.893 tors. eta vs tors. theta energy: -172.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2173.467979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.467979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.467979 (E_RNA) where: Base-Base interactions energy: -1566.806 where: short stacking energy: -584.769 Base-Backbone interact. energy: -2.282 local terms energy: -604.380847 where: bonds (distance) C4'-P energy: -123.167 bonds (distance) P-C4' energy: -104.319 flat angles C4'-P-C4' energy: -144.592 flat angles P-C4'-P energy: -75.438 tors. eta vs tors. theta energy: -156.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -2084.474202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.474202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.474202 (E_RNA) where: Base-Base interactions energy: -1510.800 where: short stacking energy: -601.750 Base-Backbone interact. energy: -1.460 local terms energy: -572.213747 where: bonds (distance) C4'-P energy: -109.601 bonds (distance) P-C4' energy: -98.547 flat angles C4'-P-C4' energy: -125.699 flat angles P-C4'-P energy: -66.340 tors. eta vs tors. theta energy: -172.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1878.730815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.730815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.730815 (E_RNA) where: Base-Base interactions energy: -1349.940 where: short stacking energy: -517.266 Base-Backbone interact. energy: -1.630 local terms energy: -527.161069 where: bonds (distance) C4'-P energy: -100.043 bonds (distance) P-C4' energy: -108.817 flat angles C4'-P-C4' energy: -107.350 flat angles P-C4'-P energy: -74.437 tors. eta vs tors. theta energy: -136.514 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: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1701.380611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.380611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.380611 (E_RNA) where: Base-Base interactions energy: -1200.406 where: short stacking energy: -475.724 Base-Backbone interact. energy: 2.427 local terms energy: -503.401515 where: bonds (distance) C4'-P energy: -94.898 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -109.368 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -126.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1600.114680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.114680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.114680 (E_RNA) where: Base-Base interactions energy: -1131.125 where: short stacking energy: -471.357 Base-Backbone interact. energy: -0.055 local terms energy: -468.934737 where: bonds (distance) C4'-P energy: -99.939 bonds (distance) P-C4' energy: -87.688 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: -121.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2409.908505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.908505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.908505 (E_RNA) where: Base-Base interactions energy: -1746.894 where: short stacking energy: -697.109 Base-Backbone interact. energy: -3.748 local terms energy: -659.267237 where: bonds (distance) C4'-P energy: -123.025 bonds (distance) P-C4' energy: -120.463 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -83.708 tors. eta vs tors. theta energy: -188.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2328.873995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.873995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.873995 (E_RNA) where: Base-Base interactions energy: -1666.096 where: short stacking energy: -666.972 Base-Backbone interact. energy: 1.192 local terms energy: -663.969942 where: bonds (distance) C4'-P energy: -116.687 bonds (distance) P-C4' energy: -120.054 flat angles C4'-P-C4' energy: -147.052 flat angles P-C4'-P energy: -87.519 tors. eta vs tors. theta energy: -192.658 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: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2342.654430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.654430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.654430 (E_RNA) where: Base-Base interactions energy: -1668.095 where: short stacking energy: -654.995 Base-Backbone interact. energy: -2.096 local terms energy: -672.464113 where: bonds (distance) C4'-P energy: -129.887 bonds (distance) P-C4' energy: -119.766 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -100.958 tors. eta vs tors. theta energy: -182.524 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: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2218.711084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.711084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.711084 (E_RNA) where: Base-Base interactions energy: -1616.258 where: short stacking energy: -619.539 Base-Backbone interact. energy: -2.438 local terms energy: -600.015089 where: bonds (distance) C4'-P energy: -114.127 bonds (distance) P-C4' energy: -93.322 flat angles C4'-P-C4' energy: -133.290 flat angles P-C4'-P energy: -85.486 tors. eta vs tors. theta energy: -173.791 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: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2174.050793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.050793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.050793 (E_RNA) where: Base-Base interactions energy: -1567.511 where: short stacking energy: -618.951 Base-Backbone interact. energy: 0.846 local terms energy: -607.385274 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -133.536 flat angles P-C4'-P energy: -84.178 tors. eta vs tors. theta energy: -167.304 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: 59 Temperature: 1.150000 Total energy: -2131.399858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.399858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.399858 (E_RNA) where: Base-Base interactions energy: -1531.022 where: short stacking energy: -590.272 Base-Backbone interact. energy: 0.346 local terms energy: -600.723525 where: bonds (distance) C4'-P energy: -107.722 bonds (distance) P-C4' energy: -105.372 flat angles C4'-P-C4' energy: -126.849 flat angles P-C4'-P energy: -92.981 tors. eta vs tors. theta energy: -167.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -2081.628781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.628781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.628781 (E_RNA) where: Base-Base interactions energy: -1499.622 where: short stacking energy: -593.859 Base-Backbone interact. energy: -0.249 local terms energy: -581.757295 where: bonds (distance) C4'-P energy: -108.616 bonds (distance) P-C4' energy: -114.186 flat angles C4'-P-C4' energy: -119.612 flat angles P-C4'-P energy: -80.020 tors. eta vs tors. theta energy: -159.324 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: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1869.729635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.729635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.729635 (E_RNA) where: Base-Base interactions energy: -1322.894 where: short stacking energy: -525.920 Base-Backbone interact. energy: 1.142 local terms energy: -547.977400 where: bonds (distance) C4'-P energy: -98.560 bonds (distance) P-C4' energy: -102.134 flat angles C4'-P-C4' energy: -129.960 flat angles P-C4'-P energy: -72.062 tors. eta vs tors. theta energy: -145.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1771.640337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.640337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.640337 (E_RNA) where: Base-Base interactions energy: -1225.787 where: short stacking energy: -484.554 Base-Backbone interact. energy: -0.843 local terms energy: -545.010499 where: bonds (distance) C4'-P energy: -102.097 bonds (distance) P-C4' energy: -98.820 flat angles C4'-P-C4' energy: -130.387 flat angles P-C4'-P energy: -74.985 tors. eta vs tors. theta energy: -138.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1597.379637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.379637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.379637 (E_RNA) where: Base-Base interactions energy: -1114.115 where: short stacking energy: -470.473 Base-Backbone interact. energy: -0.634 local terms energy: -482.630104 where: bonds (distance) C4'-P energy: -93.481 bonds (distance) P-C4' energy: -102.705 flat angles C4'-P-C4' energy: -108.468 flat angles P-C4'-P energy: -67.605 tors. eta vs tors. theta energy: -110.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2376.600137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.600137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.600137 (E_RNA) where: Base-Base interactions energy: -1676.208 where: short stacking energy: -664.234 Base-Backbone interact. energy: -1.753 local terms energy: -698.638524 where: bonds (distance) C4'-P energy: -134.926 bonds (distance) P-C4' energy: -135.932 flat angles C4'-P-C4' energy: -140.164 flat angles P-C4'-P energy: -94.704 tors. eta vs tors. theta energy: -192.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2344.740053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.740053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.740053 (E_RNA) where: Base-Base interactions energy: -1677.334 where: short stacking energy: -658.573 Base-Backbone interact. energy: -1.193 local terms energy: -666.213047 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -119.024 flat angles C4'-P-C4' energy: -136.798 flat angles P-C4'-P energy: -101.090 tors. eta vs tors. theta energy: -178.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2352.648845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.648845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.648845 (E_RNA) where: Base-Base interactions energy: -1686.861 where: short stacking energy: -664.073 Base-Backbone interact. energy: 2.449 local terms energy: -668.237121 where: bonds (distance) C4'-P energy: -131.950 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -141.918 flat angles P-C4'-P energy: -98.770 tors. eta vs tors. theta energy: -178.565 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: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2221.732473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.732473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.732473 (E_RNA) where: Base-Base interactions energy: -1576.493 where: short stacking energy: -610.272 Base-Backbone interact. energy: -4.441 local terms energy: -640.799260 where: bonds (distance) C4'-P energy: -130.106 bonds (distance) P-C4' energy: -120.663 flat angles C4'-P-C4' energy: -122.384 flat angles P-C4'-P energy: -95.430 tors. eta vs tors. theta energy: -172.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2191.119727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.119727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.119727 (E_RNA) where: Base-Base interactions energy: -1586.021 where: short stacking energy: -623.436 Base-Backbone interact. energy: -0.328 local terms energy: -604.771061 where: bonds (distance) C4'-P energy: -101.510 bonds (distance) P-C4' energy: -114.225 flat angles C4'-P-C4' energy: -139.963 flat angles P-C4'-P energy: -79.451 tors. eta vs tors. theta energy: -169.622 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: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2126.454966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.454966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.454966 (E_RNA) where: Base-Base interactions energy: -1506.670 where: short stacking energy: -574.949 Base-Backbone interact. energy: -2.083 local terms energy: -617.701883 where: bonds (distance) C4'-P energy: -121.354 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -129.378 flat angles P-C4'-P energy: -95.660 tors. eta vs tors. theta energy: -161.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -2079.687201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.687201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.687201 (E_RNA) where: Base-Base interactions energy: -1480.119 where: short stacking energy: -572.413 Base-Backbone interact. energy: 2.504 local terms energy: -602.072896 where: bonds (distance) C4'-P energy: -104.295 bonds (distance) P-C4' energy: -109.016 flat angles C4'-P-C4' energy: -128.914 flat angles P-C4'-P energy: -91.284 tors. eta vs tors. theta energy: -168.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1834.371382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.371382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.371382 (E_RNA) where: Base-Base interactions energy: -1316.871 where: short stacking energy: -524.968 Base-Backbone interact. energy: -1.430 local terms energy: -516.070658 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -90.460 flat angles C4'-P-C4' energy: -112.269 flat angles P-C4'-P energy: -69.769 tors. eta vs tors. theta energy: -142.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1804.329464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.329464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.329464 (E_RNA) where: Base-Base interactions energy: -1265.083 where: short stacking energy: -513.013 Base-Backbone interact. energy: -0.223 local terms energy: -539.023655 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -106.652 flat angles C4'-P-C4' energy: -123.336 flat angles P-C4'-P energy: -56.120 tors. eta vs tors. theta energy: -139.461 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: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1643.101954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.101954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.101954 (E_RNA) where: Base-Base interactions energy: -1158.593 where: short stacking energy: -467.406 Base-Backbone interact. energy: -1.468 local terms energy: -483.041586 where: bonds (distance) C4'-P energy: -93.986 bonds (distance) P-C4' energy: -99.695 flat angles C4'-P-C4' energy: -103.113 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -119.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2416.583501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.583501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.583501 (E_RNA) where: Base-Base interactions energy: -1697.985 where: short stacking energy: -694.013 Base-Backbone interact. energy: -0.068 local terms energy: -718.529682 where: bonds (distance) C4'-P energy: -137.708 bonds (distance) P-C4' energy: -123.161 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -108.819 tors. eta vs tors. theta energy: -193.523 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: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2409.426844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.426844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.426844 (E_RNA) where: Base-Base interactions energy: -1743.957 where: short stacking energy: -682.238 Base-Backbone interact. energy: 1.925 local terms energy: -667.394434 where: bonds (distance) C4'-P energy: -121.679 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -90.461 tors. eta vs tors. theta energy: -196.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2318.185717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.185717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.185717 (E_RNA) where: Base-Base interactions energy: -1693.780 where: short stacking energy: -671.075 Base-Backbone interact. energy: 0.237 local terms energy: -624.642646 where: bonds (distance) C4'-P energy: -110.399 bonds (distance) P-C4' energy: -95.241 flat angles C4'-P-C4' energy: -136.160 flat angles P-C4'-P energy: -100.730 tors. eta vs tors. theta energy: -182.112 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: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2233.073312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.073312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.073312 (E_RNA) where: Base-Base interactions energy: -1595.258 where: short stacking energy: -634.831 Base-Backbone interact. energy: -3.588 local terms energy: -634.227528 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -106.942 flat angles C4'-P-C4' energy: -136.061 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -177.509 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: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2192.687270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.687270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.687270 (E_RNA) where: Base-Base interactions energy: -1579.346 where: short stacking energy: -592.508 Base-Backbone interact. energy: -1.703 local terms energy: -611.638293 where: bonds (distance) C4'-P energy: -119.496 bonds (distance) P-C4' energy: -99.000 flat angles C4'-P-C4' energy: -139.679 flat angles P-C4'-P energy: -81.832 tors. eta vs tors. theta energy: -171.631 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: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2154.866759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.866759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.866759 (E_RNA) where: Base-Base interactions energy: -1561.098 where: short stacking energy: -616.562 Base-Backbone interact. energy: 0.257 local terms energy: -594.025526 where: bonds (distance) C4'-P energy: -108.597 bonds (distance) P-C4' energy: -91.758 flat angles C4'-P-C4' energy: -133.048 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -187.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -2088.816554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.816554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.816554 (E_RNA) where: Base-Base interactions energy: -1497.524 where: short stacking energy: -564.680 Base-Backbone interact. energy: 0.674 local terms energy: -591.966386 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -105.648 flat angles C4'-P-C4' energy: -124.595 flat angles P-C4'-P energy: -91.823 tors. eta vs tors. theta energy: -162.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1880.060443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.060443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.060443 (E_RNA) where: Base-Base interactions energy: -1305.482 where: short stacking energy: -533.315 Base-Backbone interact. energy: 7.719 local terms energy: -582.296704 where: bonds (distance) C4'-P energy: -115.805 bonds (distance) P-C4' energy: -107.702 flat angles C4'-P-C4' energy: -123.313 flat angles P-C4'-P energy: -80.037 tors. eta vs tors. theta energy: -155.439 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: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1757.260695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.260695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.260695 (E_RNA) where: Base-Base interactions energy: -1246.243 where: short stacking energy: -489.150 Base-Backbone interact. energy: 1.589 local terms energy: -512.606322 where: bonds (distance) C4'-P energy: -87.937 bonds (distance) P-C4' energy: -110.773 flat angles C4'-P-C4' energy: -116.474 flat angles P-C4'-P energy: -58.636 tors. eta vs tors. theta energy: -138.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1598.228455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.228455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.228455 (E_RNA) where: Base-Base interactions energy: -1103.025 where: short stacking energy: -443.802 Base-Backbone interact. energy: 0.448 local terms energy: -495.651383 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -101.065 flat angles C4'-P-C4' energy: -108.352 flat angles P-C4'-P energy: -72.582 tors. eta vs tors. theta energy: -114.075 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: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2452.560625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.560625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.560625 (E_RNA) where: Base-Base interactions energy: -1772.052 where: short stacking energy: -702.086 Base-Backbone interact. energy: -1.930 local terms energy: -678.578245 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -131.806 flat angles C4'-P-C4' energy: -145.826 flat angles P-C4'-P energy: -89.152 tors. eta vs tors. theta energy: -201.902 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: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2375.854214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.854214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.854214 (E_RNA) where: Base-Base interactions energy: -1709.257 where: short stacking energy: -673.018 Base-Backbone interact. energy: -4.367 local terms energy: -662.229700 where: bonds (distance) C4'-P energy: -113.453 bonds (distance) P-C4' energy: -122.419 flat angles C4'-P-C4' energy: -135.571 flat angles P-C4'-P energy: -100.629 tors. eta vs tors. theta energy: -190.157 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2310.763211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.763211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.763211 (E_RNA) where: Base-Base interactions energy: -1649.194 where: short stacking energy: -652.233 Base-Backbone interact. energy: -0.571 local terms energy: -660.997615 where: bonds (distance) C4'-P energy: -124.585 bonds (distance) P-C4' energy: -125.212 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -88.053 tors. eta vs tors. theta energy: -181.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2263.622656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.622656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.622656 (E_RNA) where: Base-Base interactions energy: -1652.922 where: short stacking energy: -621.512 Base-Backbone interact. energy: -0.649 local terms energy: -610.052176 where: bonds (distance) C4'-P energy: -114.565 bonds (distance) P-C4' energy: -106.887 flat angles C4'-P-C4' energy: -127.649 flat angles P-C4'-P energy: -85.975 tors. eta vs tors. theta energy: -174.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2151.457672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.457672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.457672 (E_RNA) where: Base-Base interactions energy: -1552.365 where: short stacking energy: -591.300 Base-Backbone interact. energy: -0.442 local terms energy: -598.650107 where: bonds (distance) C4'-P energy: -116.870 bonds (distance) P-C4' energy: -119.836 flat angles C4'-P-C4' energy: -113.452 flat angles P-C4'-P energy: -82.793 tors. eta vs tors. theta energy: -165.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2146.078427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.078427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.078427 (E_RNA) where: Base-Base interactions energy: -1518.949 where: short stacking energy: -614.217 Base-Backbone interact. energy: 0.771 local terms energy: -627.900800 where: bonds (distance) C4'-P energy: -125.690 bonds (distance) P-C4' energy: -100.032 flat angles C4'-P-C4' energy: -131.893 flat angles P-C4'-P energy: -95.813 tors. eta vs tors. theta energy: -174.473 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: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -2045.491928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.491928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.491928 (E_RNA) where: Base-Base interactions energy: -1481.231 where: short stacking energy: -567.094 Base-Backbone interact. energy: -0.788 local terms energy: -563.472259 where: bonds (distance) C4'-P energy: -95.615 bonds (distance) P-C4' energy: -102.042 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: -163.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1900.625665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.625665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.625665 (E_RNA) where: Base-Base interactions energy: -1323.927 where: short stacking energy: -523.962 Base-Backbone interact. energy: -1.586 local terms energy: -575.113569 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -105.752 flat angles C4'-P-C4' energy: -131.602 flat angles P-C4'-P energy: -88.211 tors. eta vs tors. theta energy: -154.223 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: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1817.605934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.605934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.605934 (E_RNA) where: Base-Base interactions energy: -1283.358 where: short stacking energy: -489.339 Base-Backbone interact. energy: 1.331 local terms energy: -535.578727 where: bonds (distance) C4'-P energy: -107.712 bonds (distance) P-C4' energy: -93.508 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -74.018 tors. eta vs tors. theta energy: -137.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1631.596613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.596613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.596613 (E_RNA) where: Base-Base interactions energy: -1124.896 where: short stacking energy: -464.785 Base-Backbone interact. energy: -0.582 local terms energy: -506.118254 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -110.514 flat angles C4'-P-C4' energy: -124.542 flat angles P-C4'-P energy: -69.032 tors. eta vs tors. theta energy: -125.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2446.812660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.812660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.812660 (E_RNA) where: Base-Base interactions energy: -1764.217 where: short stacking energy: -673.935 Base-Backbone interact. energy: -1.819 local terms energy: -680.775990 where: bonds (distance) C4'-P energy: -126.757 bonds (distance) P-C4' energy: -124.391 flat angles C4'-P-C4' energy: -144.860 flat angles P-C4'-P energy: -89.164 tors. eta vs tors. theta energy: -195.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2360.284056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.284056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.284056 (E_RNA) where: Base-Base interactions energy: -1709.593 where: short stacking energy: -663.669 Base-Backbone interact. energy: 0.287 local terms energy: -650.977432 where: bonds (distance) C4'-P energy: -131.035 bonds (distance) P-C4' energy: -119.945 flat angles C4'-P-C4' energy: -138.012 flat angles P-C4'-P energy: -88.780 tors. eta vs tors. theta energy: -173.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2327.381795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.381795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.381795 (E_RNA) where: Base-Base interactions energy: -1688.914 where: short stacking energy: -677.045 Base-Backbone interact. energy: -0.699 local terms energy: -637.768653 where: bonds (distance) C4'-P energy: -128.373 bonds (distance) P-C4' energy: -104.426 flat angles C4'-P-C4' energy: -137.781 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -178.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2260.453659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.453659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.453659 (E_RNA) where: Base-Base interactions energy: -1625.237 where: short stacking energy: -632.547 Base-Backbone interact. energy: -2.437 local terms energy: -632.780164 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -114.976 flat angles C4'-P-C4' energy: -137.221 flat angles P-C4'-P energy: -93.422 tors. eta vs tors. theta energy: -172.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2143.347047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.347047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.347047 (E_RNA) where: Base-Base interactions energy: -1531.851 where: short stacking energy: -613.451 Base-Backbone interact. energy: -2.848 local terms energy: -608.647974 where: bonds (distance) C4'-P energy: -102.191 bonds (distance) P-C4' energy: -117.800 flat angles C4'-P-C4' energy: -135.231 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -168.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2206.955655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.955655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.955655 (E_RNA) where: Base-Base interactions energy: -1611.525 where: short stacking energy: -631.606 Base-Backbone interact. energy: -1.362 local terms energy: -594.067960 where: bonds (distance) C4'-P energy: -105.681 bonds (distance) P-C4' energy: -106.059 flat angles C4'-P-C4' energy: -119.047 flat angles P-C4'-P energy: -78.785 tors. eta vs tors. theta energy: -184.495 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: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2048.708231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.708231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.708231 (E_RNA) where: Base-Base interactions energy: -1457.641 where: short stacking energy: -552.569 Base-Backbone interact. energy: -0.914 local terms energy: -590.153841 where: bonds (distance) C4'-P energy: -91.998 bonds (distance) P-C4' energy: -124.770 flat angles C4'-P-C4' energy: -125.361 flat angles P-C4'-P energy: -88.436 tors. eta vs tors. theta energy: -159.589 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: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1860.601874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.601874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.601874 (E_RNA) where: Base-Base interactions energy: -1317.795 where: short stacking energy: -533.290 Base-Backbone interact. energy: -0.282 local terms energy: -542.524735 where: bonds (distance) C4'-P energy: -105.311 bonds (distance) P-C4' energy: -103.920 flat angles C4'-P-C4' energy: -115.250 flat angles P-C4'-P energy: -69.325 tors. eta vs tors. theta energy: -148.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1797.346908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.346908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.346908 (E_RNA) where: Base-Base interactions energy: -1276.231 where: short stacking energy: -489.667 Base-Backbone interact. energy: -0.778 local terms energy: -520.338212 where: bonds (distance) C4'-P energy: -107.192 bonds (distance) P-C4' energy: -100.906 flat angles C4'-P-C4' energy: -108.617 flat angles P-C4'-P energy: -68.176 tors. eta vs tors. theta energy: -135.447 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: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1580.637822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.637822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.637822 (E_RNA) where: Base-Base interactions energy: -1090.590 where: short stacking energy: -431.627 Base-Backbone interact. energy: -0.824 local terms energy: -489.223973 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -120.798 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: -102.837 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: 64 Temperature: 0.900000 Total energy: -2438.669909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.669909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.669909 (E_RNA) where: Base-Base interactions energy: -1772.393 where: short stacking energy: -697.319 Base-Backbone interact. energy: -1.594 local terms energy: -664.683305 where: bonds (distance) C4'-P energy: -120.553 bonds (distance) P-C4' energy: -114.351 flat angles C4'-P-C4' energy: -149.085 flat angles P-C4'-P energy: -90.091 tors. eta vs tors. theta energy: -190.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2372.790302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.790302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.790302 (E_RNA) where: Base-Base interactions energy: -1674.862 where: short stacking energy: -686.864 Base-Backbone interact. energy: -1.511 local terms energy: -696.416861 where: bonds (distance) C4'-P energy: -126.456 bonds (distance) P-C4' energy: -122.979 flat angles C4'-P-C4' energy: -146.517 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -197.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2300.859773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.859773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.859773 (E_RNA) where: Base-Base interactions energy: -1653.286 where: short stacking energy: -634.082 Base-Backbone interact. energy: -2.716 local terms energy: -644.858390 where: bonds (distance) C4'-P energy: -113.464 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -130.180 flat angles P-C4'-P energy: -90.131 tors. eta vs tors. theta energy: -178.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2259.184802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.184802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.184802 (E_RNA) where: Base-Base interactions energy: -1620.355 where: short stacking energy: -640.391 Base-Backbone interact. energy: 3.472 local terms energy: -642.301235 where: bonds (distance) C4'-P energy: -120.211 bonds (distance) P-C4' energy: -115.092 flat angles C4'-P-C4' energy: -134.329 flat angles P-C4'-P energy: -89.360 tors. eta vs tors. theta energy: -183.308 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: 64 Temperature: 1.100000 Total energy: -2241.418467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.418467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.418467 (E_RNA) where: Base-Base interactions energy: -1613.441 where: short stacking energy: -636.931 Base-Backbone interact. energy: 0.028 local terms energy: -628.005384 where: bonds (distance) C4'-P energy: -98.081 bonds (distance) P-C4' energy: -110.583 flat angles C4'-P-C4' energy: -128.946 flat angles P-C4'-P energy: -100.472 tors. eta vs tors. theta energy: -189.924 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: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2075.434357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.434357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.434357 (E_RNA) where: Base-Base interactions energy: -1496.366 where: short stacking energy: -582.958 Base-Backbone interact. energy: -0.312 local terms energy: -578.756509 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -101.569 flat angles C4'-P-C4' energy: -122.899 flat angles P-C4'-P energy: -88.044 tors. eta vs tors. theta energy: -160.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2050.483338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.483338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.483338 (E_RNA) where: Base-Base interactions energy: -1474.133 where: short stacking energy: -569.511 Base-Backbone interact. energy: -0.032 local terms energy: -576.318670 where: bonds (distance) C4'-P energy: -113.332 bonds (distance) P-C4' energy: -102.838 flat angles C4'-P-C4' energy: -123.079 flat angles P-C4'-P energy: -77.860 tors. eta vs tors. theta energy: -159.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1882.766770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.766770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.766770 (E_RNA) where: Base-Base interactions energy: -1335.728 where: short stacking energy: -527.625 Base-Backbone interact. energy: -2.044 local terms energy: -544.994467 where: bonds (distance) C4'-P energy: -96.405 bonds (distance) P-C4' energy: -103.920 flat angles C4'-P-C4' energy: -113.423 flat angles P-C4'-P energy: -84.221 tors. eta vs tors. theta energy: -147.025 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: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1828.082555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.082555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.082555 (E_RNA) where: Base-Base interactions energy: -1296.332 where: short stacking energy: -494.465 Base-Backbone interact. energy: -0.443 local terms energy: -531.307389 where: bonds (distance) C4'-P energy: -114.494 bonds (distance) P-C4' energy: -101.036 flat angles C4'-P-C4' energy: -118.596 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -130.026 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: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1464.102973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.102973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.102973 (E_RNA) where: Base-Base interactions energy: -990.251 where: short stacking energy: -415.936 Base-Backbone interact. energy: 2.764 local terms energy: -476.615912 where: bonds (distance) C4'-P energy: -109.474 bonds (distance) P-C4' energy: -81.444 flat angles C4'-P-C4' energy: -105.592 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -97.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2436.798181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.798181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.798181 (E_RNA) where: Base-Base interactions energy: -1752.261 where: short stacking energy: -686.896 Base-Backbone interact. energy: -0.787 local terms energy: -683.749481 where: bonds (distance) C4'-P energy: -116.545 bonds (distance) P-C4' energy: -133.438 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -94.709 tors. eta vs tors. theta energy: -189.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2393.843051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.843051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.843051 (E_RNA) where: Base-Base interactions energy: -1726.870 where: short stacking energy: -697.538 Base-Backbone interact. energy: -2.509 local terms energy: -664.464096 where: bonds (distance) C4'-P energy: -108.531 bonds (distance) P-C4' energy: -108.277 flat angles C4'-P-C4' energy: -149.561 flat angles P-C4'-P energy: -100.278 tors. eta vs tors. theta energy: -197.816 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: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2305.761351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.761351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.761351 (E_RNA) where: Base-Base interactions energy: -1674.455 where: short stacking energy: -661.419 Base-Backbone interact. energy: 0.940 local terms energy: -632.246143 where: bonds (distance) C4'-P energy: -113.582 bonds (distance) P-C4' energy: -115.086 flat angles C4'-P-C4' energy: -135.773 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -185.454 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: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2307.003237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.003237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.003237 (E_RNA) where: Base-Base interactions energy: -1650.882 where: short stacking energy: -649.943 Base-Backbone interact. energy: -1.726 local terms energy: -654.395405 where: bonds (distance) C4'-P energy: -125.281 bonds (distance) P-C4' energy: -112.783 flat angles C4'-P-C4' energy: -139.628 flat angles P-C4'-P energy: -97.363 tors. eta vs tors. theta energy: -179.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2206.072742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.072742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.072742 (E_RNA) where: Base-Base interactions energy: -1586.060 where: short stacking energy: -639.452 Base-Backbone interact. energy: -4.518 local terms energy: -615.494211 where: bonds (distance) C4'-P energy: -107.312 bonds (distance) P-C4' energy: -101.795 flat angles C4'-P-C4' energy: -142.908 flat angles P-C4'-P energy: -85.668 tors. eta vs tors. theta energy: -177.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2111.754431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.754431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.754431 (E_RNA) where: Base-Base interactions energy: -1507.449 where: short stacking energy: -602.208 Base-Backbone interact. energy: -1.589 local terms energy: -602.716343 where: bonds (distance) C4'-P energy: -98.117 bonds (distance) P-C4' energy: -120.496 flat angles C4'-P-C4' energy: -131.416 flat angles P-C4'-P energy: -83.292 tors. eta vs tors. theta energy: -169.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -2082.642944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.642944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.642944 (E_RNA) where: Base-Base interactions energy: -1477.579 where: short stacking energy: -559.426 Base-Backbone interact. energy: 2.296 local terms energy: -607.359610 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -108.503 flat angles C4'-P-C4' energy: -134.165 flat angles P-C4'-P energy: -86.254 tors. eta vs tors. theta energy: -156.394 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: 65 Temperature: 1.250000 Total energy: -1883.724416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.724416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.724416 (E_RNA) where: Base-Base interactions energy: -1325.398 where: short stacking energy: -529.355 Base-Backbone interact. energy: -2.559 local terms energy: -555.767604 where: bonds (distance) C4'-P energy: -112.049 bonds (distance) P-C4' energy: -96.988 flat angles C4'-P-C4' energy: -127.647 flat angles P-C4'-P energy: -67.578 tors. eta vs tors. theta energy: -151.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1808.713606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.713606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.713606 (E_RNA) where: Base-Base interactions energy: -1295.560 where: short stacking energy: -509.407 Base-Backbone interact. energy: -2.760 local terms energy: -510.393644 where: bonds (distance) C4'-P energy: -97.117 bonds (distance) P-C4' energy: -98.825 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -61.969 tors. eta vs tors. theta energy: -127.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1481.075535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.075535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.075535 (E_RNA) where: Base-Base interactions energy: -1046.004 where: short stacking energy: -431.903 Base-Backbone interact. energy: -0.345 local terms energy: -434.726188 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -78.716 flat angles C4'-P-C4' energy: -114.850 flat angles P-C4'-P energy: -67.401 tors. eta vs tors. theta energy: -95.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2463.803160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.803160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.803160 (E_RNA) where: Base-Base interactions energy: -1780.359 where: short stacking energy: -688.745 Base-Backbone interact. energy: -1.258 local terms energy: -682.186405 where: bonds (distance) C4'-P energy: -127.309 bonds (distance) P-C4' energy: -128.593 flat angles C4'-P-C4' energy: -149.213 flat angles P-C4'-P energy: -84.716 tors. eta vs tors. theta energy: -192.355 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: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2383.866753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.866753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.866753 (E_RNA) where: Base-Base interactions energy: -1700.530 where: short stacking energy: -678.110 Base-Backbone interact. energy: -0.459 local terms energy: -682.878164 where: bonds (distance) C4'-P energy: -121.313 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -151.263 flat angles P-C4'-P energy: -102.736 tors. eta vs tors. theta energy: -189.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2288.097726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.097726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.097726 (E_RNA) where: Base-Base interactions energy: -1623.539 where: short stacking energy: -644.300 Base-Backbone interact. energy: -1.174 local terms energy: -663.384037 where: bonds (distance) C4'-P energy: -122.766 bonds (distance) P-C4' energy: -122.283 flat angles C4'-P-C4' energy: -143.762 flat angles P-C4'-P energy: -87.257 tors. eta vs tors. theta energy: -187.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2351.106532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.106532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.106532 (E_RNA) where: Base-Base interactions energy: -1709.978 where: short stacking energy: -661.296 Base-Backbone interact. energy: -0.524 local terms energy: -640.604865 where: bonds (distance) C4'-P energy: -112.714 bonds (distance) P-C4' energy: -125.849 flat angles C4'-P-C4' energy: -130.767 flat angles P-C4'-P energy: -86.883 tors. eta vs tors. theta energy: -184.393 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: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2219.837307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.837307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.837307 (E_RNA) where: Base-Base interactions energy: -1592.482 where: short stacking energy: -620.487 Base-Backbone interact. energy: -2.179 local terms energy: -625.177031 where: bonds (distance) C4'-P energy: -116.341 bonds (distance) P-C4' energy: -106.178 flat angles C4'-P-C4' energy: -129.954 flat angles P-C4'-P energy: -89.397 tors. eta vs tors. theta energy: -183.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2093.709155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.709155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.709155 (E_RNA) where: Base-Base interactions energy: -1505.939 where: short stacking energy: -581.907 Base-Backbone interact. energy: -0.584 local terms energy: -587.186199 where: bonds (distance) C4'-P energy: -115.060 bonds (distance) P-C4' energy: -100.065 flat angles C4'-P-C4' energy: -132.380 flat angles P-C4'-P energy: -69.713 tors. eta vs tors. theta energy: -169.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -2135.234819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.234819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.234819 (E_RNA) where: Base-Base interactions energy: -1547.331 where: short stacking energy: -594.489 Base-Backbone interact. energy: -4.228 local terms energy: -583.675533 where: bonds (distance) C4'-P energy: -105.872 bonds (distance) P-C4' energy: -91.839 flat angles C4'-P-C4' energy: -133.478 flat angles P-C4'-P energy: -89.629 tors. eta vs tors. theta energy: -162.858 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: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1933.246848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.246848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.246848 (E_RNA) where: Base-Base interactions energy: -1354.597 where: short stacking energy: -550.671 Base-Backbone interact. energy: -1.154 local terms energy: -577.495304 where: bonds (distance) C4'-P energy: -98.608 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -109.513 flat angles P-C4'-P energy: -93.931 tors. eta vs tors. theta energy: -164.522 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: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1827.102415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.102415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.102415 (E_RNA) where: Base-Base interactions energy: -1286.556 where: short stacking energy: -503.160 Base-Backbone interact. energy: 0.727 local terms energy: -541.273922 where: bonds (distance) C4'-P energy: -102.372 bonds (distance) P-C4' energy: -108.399 flat angles C4'-P-C4' energy: -120.060 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -134.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1489.707991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.707991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.707991 (E_RNA) where: Base-Base interactions energy: -1026.937 where: short stacking energy: -423.117 Base-Backbone interact. energy: -1.851 local terms energy: -460.920481 where: bonds (distance) C4'-P energy: -78.863 bonds (distance) P-C4' energy: -113.564 flat angles C4'-P-C4' energy: -114.156 flat angles P-C4'-P energy: -50.718 tors. eta vs tors. theta energy: -103.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2489.584296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.584296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.584296 (E_RNA) where: Base-Base interactions energy: -1800.932 where: short stacking energy: -712.864 Base-Backbone interact. energy: -1.609 local terms energy: -687.042800 where: bonds (distance) C4'-P energy: -116.872 bonds (distance) P-C4' energy: -130.265 flat angles C4'-P-C4' energy: -148.140 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -193.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2378.027858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.027858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.027858 (E_RNA) where: Base-Base interactions energy: -1691.602 where: short stacking energy: -678.176 Base-Backbone interact. energy: -1.823 local terms energy: -684.602237 where: bonds (distance) C4'-P energy: -115.279 bonds (distance) P-C4' energy: -123.581 flat angles C4'-P-C4' energy: -147.767 flat angles P-C4'-P energy: -103.594 tors. eta vs tors. theta energy: -194.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2290.639096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.639096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.639096 (E_RNA) where: Base-Base interactions energy: -1632.073 where: short stacking energy: -654.420 Base-Backbone interact. energy: 5.393 local terms energy: -663.958876 where: bonds (distance) C4'-P energy: -120.994 bonds (distance) P-C4' energy: -120.470 flat angles C4'-P-C4' energy: -138.434 flat angles P-C4'-P energy: -99.213 tors. eta vs tors. theta energy: -184.847 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: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2333.067077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.067077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.067077 (E_RNA) where: Base-Base interactions energy: -1693.514 where: short stacking energy: -669.334 Base-Backbone interact. energy: -1.020 local terms energy: -638.533523 where: bonds (distance) C4'-P energy: -124.584 bonds (distance) P-C4' energy: -107.797 flat angles C4'-P-C4' energy: -137.391 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -190.790 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: 9 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2232.876606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.876606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.876606 (E_RNA) where: Base-Base interactions energy: -1617.194 where: short stacking energy: -639.034 Base-Backbone interact. energy: -2.426 local terms energy: -613.256129 where: bonds (distance) C4'-P energy: -97.675 bonds (distance) P-C4' energy: -119.188 flat angles C4'-P-C4' energy: -131.019 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -185.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2193.471890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.471890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.471890 (E_RNA) where: Base-Base interactions energy: -1612.890 where: short stacking energy: -612.994 Base-Backbone interact. energy: 0.563 local terms energy: -581.145612 where: bonds (distance) C4'-P energy: -91.705 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -134.527 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -181.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -2059.016044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.016044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.016044 (E_RNA) where: Base-Base interactions energy: -1466.025 where: short stacking energy: -565.753 Base-Backbone interact. energy: -0.087 local terms energy: -592.904493 where: bonds (distance) C4'-P energy: -105.776 bonds (distance) P-C4' energy: -116.639 flat angles C4'-P-C4' energy: -137.350 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -161.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1909.284772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.284772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.284772 (E_RNA) where: Base-Base interactions energy: -1382.067 where: short stacking energy: -539.262 Base-Backbone interact. energy: -0.662 local terms energy: -526.556019 where: bonds (distance) C4'-P energy: -101.560 bonds (distance) P-C4' energy: -90.847 flat angles C4'-P-C4' energy: -102.788 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -153.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1857.553234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.553234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.553234 (E_RNA) where: Base-Base interactions energy: -1294.235 where: short stacking energy: -521.031 Base-Backbone interact. energy: -1.121 local terms energy: -562.197500 where: bonds (distance) C4'-P energy: -111.863 bonds (distance) P-C4' energy: -88.130 flat angles C4'-P-C4' energy: -132.384 flat angles P-C4'-P energy: -84.916 tors. eta vs tors. theta energy: -144.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1519.636467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.636467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.636467 (E_RNA) where: Base-Base interactions energy: -1066.869 where: short stacking energy: -431.864 Base-Backbone interact. energy: -1.648 local terms energy: -451.119441 where: bonds (distance) C4'-P energy: -82.282 bonds (distance) P-C4' energy: -87.077 flat angles C4'-P-C4' energy: -112.307 flat angles P-C4'-P energy: -66.204 tors. eta vs tors. theta energy: -103.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2497.495458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.495458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.495458 (E_RNA) where: Base-Base interactions energy: -1825.712 where: short stacking energy: -725.776 Base-Backbone interact. energy: -0.843 local terms energy: -670.940357 where: bonds (distance) C4'-P energy: -118.374 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -144.743 flat angles P-C4'-P energy: -100.321 tors. eta vs tors. theta energy: -197.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2380.628782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.628782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.628782 (E_RNA) where: Base-Base interactions energy: -1713.430 where: short stacking energy: -682.339 Base-Backbone interact. energy: -0.905 local terms energy: -666.293451 where: bonds (distance) C4'-P energy: -131.310 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -142.793 flat angles P-C4'-P energy: -92.621 tors. eta vs tors. theta energy: -186.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2403.016299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.016299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.016299 (E_RNA) where: Base-Base interactions energy: -1746.761 where: short stacking energy: -702.113 Base-Backbone interact. energy: 0.932 local terms energy: -657.186741 where: bonds (distance) C4'-P energy: -113.504 bonds (distance) P-C4' energy: -115.786 flat angles C4'-P-C4' energy: -145.689 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -192.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2266.451620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.451620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.451620 (E_RNA) where: Base-Base interactions energy: -1623.452 where: short stacking energy: -629.722 Base-Backbone interact. energy: -0.975 local terms energy: -642.024682 where: bonds (distance) C4'-P energy: -113.929 bonds (distance) P-C4' energy: -116.109 flat angles C4'-P-C4' energy: -134.310 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -180.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2208.529766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.529766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.529766 (E_RNA) where: Base-Base interactions energy: -1584.316 where: short stacking energy: -618.181 Base-Backbone interact. energy: -1.132 local terms energy: -623.081038 where: bonds (distance) C4'-P energy: -114.830 bonds (distance) P-C4' energy: -110.760 flat angles C4'-P-C4' energy: -142.973 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -174.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2173.506511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.506511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.506511 (E_RNA) where: Base-Base interactions energy: -1592.680 where: short stacking energy: -607.519 Base-Backbone interact. energy: -1.198 local terms energy: -579.628195 where: bonds (distance) C4'-P energy: -112.309 bonds (distance) P-C4' energy: -103.103 flat angles C4'-P-C4' energy: -131.853 flat angles P-C4'-P energy: -66.242 tors. eta vs tors. theta energy: -166.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -2067.538563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.538563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.538563 (E_RNA) where: Base-Base interactions energy: -1494.766 where: short stacking energy: -579.545 Base-Backbone interact. energy: 1.510 local terms energy: -574.282409 where: bonds (distance) C4'-P energy: -104.758 bonds (distance) P-C4' energy: -98.917 flat angles C4'-P-C4' energy: -136.317 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -151.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1917.513141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.513141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.513141 (E_RNA) where: Base-Base interactions energy: -1347.693 where: short stacking energy: -533.070 Base-Backbone interact. energy: -0.644 local terms energy: -569.176560 where: bonds (distance) C4'-P energy: -96.693 bonds (distance) P-C4' energy: -109.539 flat angles C4'-P-C4' energy: -127.126 flat angles P-C4'-P energy: -81.081 tors. eta vs tors. theta energy: -154.738 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: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1805.628518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.628518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.628518 (E_RNA) where: Base-Base interactions energy: -1298.182 where: short stacking energy: -504.700 Base-Backbone interact. energy: -0.407 local terms energy: -507.039211 where: bonds (distance) C4'-P energy: -105.127 bonds (distance) P-C4' energy: -90.819 flat angles C4'-P-C4' energy: -112.550 flat angles P-C4'-P energy: -72.752 tors. eta vs tors. theta energy: -125.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1464.930716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.930716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.930716 (E_RNA) where: Base-Base interactions energy: -1016.373 where: short stacking energy: -429.429 Base-Backbone interact. energy: 1.022 local terms energy: -449.580390 where: bonds (distance) C4'-P energy: -99.392 bonds (distance) P-C4' energy: -97.320 flat angles C4'-P-C4' energy: -91.045 flat angles P-C4'-P energy: -65.402 tors. eta vs tors. theta energy: -96.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2471.777250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.777250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.777250 (E_RNA) where: Base-Base interactions energy: -1784.267 where: short stacking energy: -695.700 Base-Backbone interact. energy: -0.219 local terms energy: -687.290896 where: bonds (distance) C4'-P energy: -118.363 bonds (distance) P-C4' energy: -124.695 flat angles C4'-P-C4' energy: -147.777 flat angles P-C4'-P energy: -104.675 tors. eta vs tors. theta energy: -191.781 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: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2438.666106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.666106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.666106 (E_RNA) where: Base-Base interactions energy: -1787.341 where: short stacking energy: -698.461 Base-Backbone interact. energy: 0.297 local terms energy: -651.621770 where: bonds (distance) C4'-P energy: -103.316 bonds (distance) P-C4' energy: -121.967 flat angles C4'-P-C4' energy: -138.105 flat angles P-C4'-P energy: -95.136 tors. eta vs tors. theta energy: -193.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2367.535999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.535999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.535999 (E_RNA) where: Base-Base interactions energy: -1702.310 where: short stacking energy: -677.042 Base-Backbone interact. energy: -2.718 local terms energy: -662.508028 where: bonds (distance) C4'-P energy: -122.671 bonds (distance) P-C4' energy: -121.934 flat angles C4'-P-C4' energy: -144.282 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -193.311 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: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2243.876213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.876213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.876213 (E_RNA) where: Base-Base interactions energy: -1595.537 where: short stacking energy: -637.547 Base-Backbone interact. energy: -3.051 local terms energy: -645.288626 where: bonds (distance) C4'-P energy: -105.010 bonds (distance) P-C4' energy: -129.105 flat angles C4'-P-C4' energy: -125.489 flat angles P-C4'-P energy: -101.534 tors. eta vs tors. theta energy: -184.151 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: 9 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2242.397922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.397922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.397922 (E_RNA) where: Base-Base interactions energy: -1597.187 where: short stacking energy: -616.327 Base-Backbone interact. energy: -1.034 local terms energy: -644.176685 where: bonds (distance) C4'-P energy: -115.659 bonds (distance) P-C4' energy: -111.805 flat angles C4'-P-C4' energy: -133.175 flat angles P-C4'-P energy: -99.335 tors. eta vs tors. theta energy: -184.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2173.523163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.523163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.523163 (E_RNA) where: Base-Base interactions energy: -1580.609 where: short stacking energy: -595.113 Base-Backbone interact. energy: 0.408 local terms energy: -593.321860 where: bonds (distance) C4'-P energy: -88.470 bonds (distance) P-C4' energy: -126.565 flat angles C4'-P-C4' energy: -125.244 flat angles P-C4'-P energy: -81.624 tors. eta vs tors. theta energy: -171.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -2056.700233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.700233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.700233 (E_RNA) where: Base-Base interactions energy: -1482.750 where: short stacking energy: -576.599 Base-Backbone interact. energy: -1.642 local terms energy: -572.307968 where: bonds (distance) C4'-P energy: -94.034 bonds (distance) P-C4' energy: -126.715 flat angles C4'-P-C4' energy: -124.355 flat angles P-C4'-P energy: -74.383 tors. eta vs tors. theta energy: -152.820 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: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1862.023576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.023576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.023576 (E_RNA) where: Base-Base interactions energy: -1305.553 where: short stacking energy: -496.935 Base-Backbone interact. energy: -0.421 local terms energy: -556.050290 where: bonds (distance) C4'-P energy: -108.817 bonds (distance) P-C4' energy: -109.172 flat angles C4'-P-C4' energy: -107.646 flat angles P-C4'-P energy: -87.970 tors. eta vs tors. theta energy: -142.445 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: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1810.311196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.311196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.311196 (E_RNA) where: Base-Base interactions energy: -1302.929 where: short stacking energy: -515.313 Base-Backbone interact. energy: 2.818 local terms energy: -510.199653 where: bonds (distance) C4'-P energy: -100.593 bonds (distance) P-C4' energy: -106.116 flat angles C4'-P-C4' energy: -102.922 flat angles P-C4'-P energy: -68.233 tors. eta vs tors. theta energy: -132.337 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: 10, replica: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1541.198189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.198189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.198189 (E_RNA) where: Base-Base interactions energy: -1084.669 where: short stacking energy: -425.041 Base-Backbone interact. energy: -0.370 local terms energy: -456.159601 where: bonds (distance) C4'-P energy: -91.927 bonds (distance) P-C4' energy: -107.898 flat angles C4'-P-C4' energy: -101.391 flat angles P-C4'-P energy: -57.604 tors. eta vs tors. theta energy: -97.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2479.266703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.266703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.266703 (E_RNA) where: Base-Base interactions energy: -1796.683 where: short stacking energy: -708.735 Base-Backbone interact. energy: -1.384 local terms energy: -681.199556 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -128.966 flat angles C4'-P-C4' energy: -140.889 flat angles P-C4'-P energy: -95.808 tors. eta vs tors. theta energy: -192.533 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: 70 Temperature: 0.950000 Total energy: -2438.518351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.518351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.518351 (E_RNA) where: Base-Base interactions energy: -1762.521 where: short stacking energy: -687.180 Base-Backbone interact. energy: -1.985 local terms energy: -674.012742 where: bonds (distance) C4'-P energy: -110.336 bonds (distance) P-C4' energy: -127.232 flat angles C4'-P-C4' energy: -139.632 flat angles P-C4'-P energy: -104.446 tors. eta vs tors. theta energy: -192.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2324.548260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.548260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.548260 (E_RNA) where: Base-Base interactions energy: -1670.618 where: short stacking energy: -666.591 Base-Backbone interact. energy: 3.250 local terms energy: -657.180502 where: bonds (distance) C4'-P energy: -123.654 bonds (distance) P-C4' energy: -129.885 flat angles C4'-P-C4' energy: -132.389 flat angles P-C4'-P energy: -86.894 tors. eta vs tors. theta energy: -184.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2252.160260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.160260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.160260 (E_RNA) where: Base-Base interactions energy: -1619.895 where: short stacking energy: -648.876 Base-Backbone interact. energy: -3.050 local terms energy: -629.215897 where: bonds (distance) C4'-P energy: -112.607 bonds (distance) P-C4' energy: -112.444 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -176.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2248.255571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.255571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.255571 (E_RNA) where: Base-Base interactions energy: -1629.172 where: short stacking energy: -639.727 Base-Backbone interact. energy: 5.265 local terms energy: -624.348639 where: bonds (distance) C4'-P energy: -120.308 bonds (distance) P-C4' energy: -109.427 flat angles C4'-P-C4' energy: -137.063 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -168.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2198.213904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.213904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.213904 (E_RNA) where: Base-Base interactions energy: -1613.094 where: short stacking energy: -618.475 Base-Backbone interact. energy: 1.188 local terms energy: -586.307815 where: bonds (distance) C4'-P energy: -99.346 bonds (distance) P-C4' energy: -105.353 flat angles C4'-P-C4' energy: -134.716 flat angles P-C4'-P energy: -81.592 tors. eta vs tors. theta energy: -165.301 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1995.906249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.906249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.906249 (E_RNA) where: Base-Base interactions energy: -1457.054 where: short stacking energy: -570.665 Base-Backbone interact. energy: -1.373 local terms energy: -537.479751 where: bonds (distance) C4'-P energy: -95.165 bonds (distance) P-C4' energy: -95.269 flat angles C4'-P-C4' energy: -118.084 flat angles P-C4'-P energy: -79.155 tors. eta vs tors. theta energy: -149.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1924.472218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.472218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.472218 (E_RNA) where: Base-Base interactions energy: -1425.558 where: short stacking energy: -542.722 Base-Backbone interact. energy: -1.699 local terms energy: -497.215881 where: bonds (distance) C4'-P energy: -82.555 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -130.749 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -139.939 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: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1847.981445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.981445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.981445 (E_RNA) where: Base-Base interactions energy: -1326.245 where: short stacking energy: -517.870 Base-Backbone interact. energy: -3.230 local terms energy: -518.506385 where: bonds (distance) C4'-P energy: -92.042 bonds (distance) P-C4' energy: -99.754 flat angles C4'-P-C4' energy: -118.810 flat angles P-C4'-P energy: -72.691 tors. eta vs tors. theta energy: -135.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1506.453190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.453190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.453190 (E_RNA) where: Base-Base interactions energy: -1050.937 where: short stacking energy: -417.369 Base-Backbone interact. energy: -2.931 local terms energy: -452.584942 where: bonds (distance) C4'-P energy: -78.953 bonds (distance) P-C4' energy: -94.689 flat angles C4'-P-C4' energy: -115.079 flat angles P-C4'-P energy: -53.308 tors. eta vs tors. theta energy: -110.556 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: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2479.674298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.674298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.674298 (E_RNA) where: Base-Base interactions energy: -1789.702 where: short stacking energy: -703.701 Base-Backbone interact. energy: -1.948 local terms energy: -688.023998 where: bonds (distance) C4'-P energy: -117.839 bonds (distance) P-C4' energy: -126.025 flat angles C4'-P-C4' energy: -152.637 flat angles P-C4'-P energy: -97.611 tors. eta vs tors. theta energy: -193.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2421.501447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.501447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.501447 (E_RNA) where: Base-Base interactions energy: -1742.356 where: short stacking energy: -686.651 Base-Backbone interact. energy: -2.435 local terms energy: -676.710469 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -123.374 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -92.438 tors. eta vs tors. theta energy: -190.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2339.238174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.238174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.238174 (E_RNA) where: Base-Base interactions energy: -1661.618 where: short stacking energy: -657.472 Base-Backbone interact. energy: -3.119 local terms energy: -674.500738 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -120.922 flat angles C4'-P-C4' energy: -147.542 flat angles P-C4'-P energy: -85.867 tors. eta vs tors. theta energy: -198.516 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: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2255.072457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.072457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.072457 (E_RNA) where: Base-Base interactions energy: -1606.645 where: short stacking energy: -644.219 Base-Backbone interact. energy: 1.220 local terms energy: -649.647324 where: bonds (distance) C4'-P energy: -115.645 bonds (distance) P-C4' energy: -126.860 flat angles C4'-P-C4' energy: -130.597 flat angles P-C4'-P energy: -98.069 tors. eta vs tors. theta energy: -178.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2225.761570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.761570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.761570 (E_RNA) where: Base-Base interactions energy: -1571.907 where: short stacking energy: -623.346 Base-Backbone interact. energy: -4.976 local terms energy: -648.878653 where: bonds (distance) C4'-P energy: -114.051 bonds (distance) P-C4' energy: -117.188 flat angles C4'-P-C4' energy: -145.863 flat angles P-C4'-P energy: -89.976 tors. eta vs tors. theta energy: -181.800 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: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2210.423617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.423617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.423617 (E_RNA) where: Base-Base interactions energy: -1592.663 where: short stacking energy: -616.058 Base-Backbone interact. energy: -2.976 local terms energy: -614.785352 where: bonds (distance) C4'-P energy: -102.906 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -132.956 flat angles P-C4'-P energy: -84.125 tors. eta vs tors. theta energy: -176.262 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: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -2006.845118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.845118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.845118 (E_RNA) where: Base-Base interactions energy: -1463.715 where: short stacking energy: -576.104 Base-Backbone interact. energy: -0.774 local terms energy: -542.356518 where: bonds (distance) C4'-P energy: -103.934 bonds (distance) P-C4' energy: -81.008 flat angles C4'-P-C4' energy: -124.468 flat angles P-C4'-P energy: -84.317 tors. eta vs tors. theta energy: -148.630 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: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1988.683582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.683582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.683582 (E_RNA) where: Base-Base interactions energy: -1428.334 where: short stacking energy: -567.387 Base-Backbone interact. energy: -1.127 local terms energy: -559.222829 where: bonds (distance) C4'-P energy: -107.570 bonds (distance) P-C4' energy: -103.122 flat angles C4'-P-C4' energy: -114.612 flat angles P-C4'-P energy: -86.549 tors. eta vs tors. theta energy: -147.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1908.740052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.740052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.740052 (E_RNA) where: Base-Base interactions energy: -1355.156 where: short stacking energy: -530.580 Base-Backbone interact. energy: 1.811 local terms energy: -555.394961 where: bonds (distance) C4'-P energy: -101.182 bonds (distance) P-C4' energy: -101.100 flat angles C4'-P-C4' energy: -112.312 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -150.598 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: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1645.774018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.774018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.774018 (E_RNA) where: Base-Base interactions energy: -1169.238 where: short stacking energy: -463.446 Base-Backbone interact. energy: -0.590 local terms energy: -475.946432 where: bonds (distance) C4'-P energy: -96.573 bonds (distance) P-C4' energy: -99.374 flat angles C4'-P-C4' energy: -106.075 flat angles P-C4'-P energy: -62.774 tors. eta vs tors. theta energy: -111.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2465.465938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.465938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.465938 (E_RNA) where: Base-Base interactions energy: -1778.125 where: short stacking energy: -698.145 Base-Backbone interact. energy: -1.015 local terms energy: -686.325516 where: bonds (distance) C4'-P energy: -124.553 bonds (distance) P-C4' energy: -122.446 flat angles C4'-P-C4' energy: -155.387 flat angles P-C4'-P energy: -95.597 tors. eta vs tors. theta energy: -188.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2430.680660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.680660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.680660 (E_RNA) where: Base-Base interactions energy: -1757.570 where: short stacking energy: -693.544 Base-Backbone interact. energy: -2.133 local terms energy: -670.977897 where: bonds (distance) C4'-P energy: -120.701 bonds (distance) P-C4' energy: -116.437 flat angles C4'-P-C4' energy: -131.661 flat angles P-C4'-P energy: -99.171 tors. eta vs tors. theta energy: -203.008 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: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2318.657927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.657927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.657927 (E_RNA) where: Base-Base interactions energy: -1661.988 where: short stacking energy: -656.857 Base-Backbone interact. energy: -2.113 local terms energy: -654.557357 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -117.918 flat angles C4'-P-C4' energy: -134.516 flat angles P-C4'-P energy: -98.205 tors. eta vs tors. theta energy: -192.261 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: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2291.995854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.995854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.995854 (E_RNA) where: Base-Base interactions energy: -1646.332 where: short stacking energy: -650.183 Base-Backbone interact. energy: 0.291 local terms energy: -645.955375 where: bonds (distance) C4'-P energy: -115.613 bonds (distance) P-C4' energy: -114.545 flat angles C4'-P-C4' energy: -137.234 flat angles P-C4'-P energy: -86.663 tors. eta vs tors. theta energy: -191.900 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: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2179.288153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.288153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.288153 (E_RNA) where: Base-Base interactions energy: -1558.627 where: short stacking energy: -605.898 Base-Backbone interact. energy: 1.921 local terms energy: -622.581591 where: bonds (distance) C4'-P energy: -114.743 bonds (distance) P-C4' energy: -126.943 flat angles C4'-P-C4' energy: -125.603 flat angles P-C4'-P energy: -80.559 tors. eta vs tors. theta energy: -174.734 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: 72 Temperature: 1.150000 Total energy: -2150.795401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.795401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.795401 (E_RNA) where: Base-Base interactions energy: -1585.340 where: short stacking energy: -607.318 Base-Backbone interact. energy: -0.240 local terms energy: -565.215390 where: bonds (distance) C4'-P energy: -89.767 bonds (distance) P-C4' energy: -107.119 flat angles C4'-P-C4' energy: -119.402 flat angles P-C4'-P energy: -80.989 tors. eta vs tors. theta energy: -167.939 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: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -2015.950440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.950440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.950440 (E_RNA) where: Base-Base interactions energy: -1440.403 where: short stacking energy: -564.726 Base-Backbone interact. energy: -1.017 local terms energy: -574.530423 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -111.727 flat angles C4'-P-C4' energy: -127.148 flat angles P-C4'-P energy: -72.480 tors. eta vs tors. theta energy: -150.069 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: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -2015.184401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.184401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.184401 (E_RNA) where: Base-Base interactions energy: -1436.311 where: short stacking energy: -558.237 Base-Backbone interact. energy: 4.168 local terms energy: -583.041013 where: bonds (distance) C4'-P energy: -104.021 bonds (distance) P-C4' energy: -107.511 flat angles C4'-P-C4' energy: -127.105 flat angles P-C4'-P energy: -88.372 tors. eta vs tors. theta energy: -156.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1854.328120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.328120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.328120 (E_RNA) where: Base-Base interactions energy: -1361.216 where: short stacking energy: -543.809 Base-Backbone interact. energy: 1.205 local terms energy: -494.316630 where: bonds (distance) C4'-P energy: -90.983 bonds (distance) P-C4' energy: -88.676 flat angles C4'-P-C4' energy: -93.033 flat angles P-C4'-P energy: -78.078 tors. eta vs tors. theta energy: -143.547 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: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1617.538911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.538911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.538911 (E_RNA) where: Base-Base interactions energy: -1139.738 where: short stacking energy: -456.351 Base-Backbone interact. energy: -1.339 local terms energy: -476.462388 where: bonds (distance) C4'-P energy: -87.674 bonds (distance) P-C4' energy: -82.945 flat angles C4'-P-C4' energy: -113.109 flat angles P-C4'-P energy: -72.438 tors. eta vs tors. theta energy: -120.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2483.383818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.383818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.383818 (E_RNA) where: Base-Base interactions energy: -1802.332 where: short stacking energy: -700.770 Base-Backbone interact. energy: -1.269 local terms energy: -679.781999 where: bonds (distance) C4'-P energy: -120.145 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -141.923 flat angles P-C4'-P energy: -97.477 tors. eta vs tors. theta energy: -192.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2427.047537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.047537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.047537 (E_RNA) where: Base-Base interactions energy: -1748.806 where: short stacking energy: -698.193 Base-Backbone interact. energy: -1.680 local terms energy: -676.561421 where: bonds (distance) C4'-P energy: -115.703 bonds (distance) P-C4' energy: -122.298 flat angles C4'-P-C4' energy: -143.308 flat angles P-C4'-P energy: -97.371 tors. eta vs tors. theta energy: -197.881 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: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2292.365172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.365172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.365172 (E_RNA) where: Base-Base interactions energy: -1611.872 where: short stacking energy: -627.571 Base-Backbone interact. energy: -3.120 local terms energy: -677.373109 where: bonds (distance) C4'-P energy: -133.972 bonds (distance) P-C4' energy: -112.842 flat angles C4'-P-C4' energy: -148.707 flat angles P-C4'-P energy: -102.619 tors. eta vs tors. theta energy: -179.233 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: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2273.834362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.834362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.834362 (E_RNA) where: Base-Base interactions energy: -1630.829 where: short stacking energy: -649.361 Base-Backbone interact. energy: -1.218 local terms energy: -641.787122 where: bonds (distance) C4'-P energy: -115.978 bonds (distance) P-C4' energy: -122.530 flat angles C4'-P-C4' energy: -140.288 flat angles P-C4'-P energy: -85.002 tors. eta vs tors. theta energy: -177.990 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: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2184.345202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.345202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.345202 (E_RNA) where: Base-Base interactions energy: -1571.810 where: short stacking energy: -619.863 Base-Backbone interact. energy: 0.895 local terms energy: -613.430379 where: bonds (distance) C4'-P energy: -100.563 bonds (distance) P-C4' energy: -104.823 flat angles C4'-P-C4' energy: -146.212 flat angles P-C4'-P energy: -88.341 tors. eta vs tors. theta energy: -173.491 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: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2138.803118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.803118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.803118 (E_RNA) where: Base-Base interactions energy: -1556.397 where: short stacking energy: -606.770 Base-Backbone interact. energy: 3.120 local terms energy: -585.525346 where: bonds (distance) C4'-P energy: -112.351 bonds (distance) P-C4' energy: -102.170 flat angles C4'-P-C4' energy: -129.254 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: -164.554 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: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2019.808603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.808603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.808603 (E_RNA) where: Base-Base interactions energy: -1439.879 where: short stacking energy: -560.263 Base-Backbone interact. energy: -1.266 local terms energy: -578.664393 where: bonds (distance) C4'-P energy: -100.259 bonds (distance) P-C4' energy: -116.415 flat angles C4'-P-C4' energy: -130.180 flat angles P-C4'-P energy: -78.286 tors. eta vs tors. theta energy: -153.524 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: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -2001.233347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.233347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.233347 (E_RNA) where: Base-Base interactions energy: -1448.204 where: short stacking energy: -562.331 Base-Backbone interact. energy: 0.532 local terms energy: -553.561316 where: bonds (distance) C4'-P energy: -104.187 bonds (distance) P-C4' energy: -100.685 flat angles C4'-P-C4' energy: -116.323 flat angles P-C4'-P energy: -68.729 tors. eta vs tors. theta energy: -163.638 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: 73 Temperature: 1.300000 Total energy: -1921.305315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.305315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.305315 (E_RNA) where: Base-Base interactions energy: -1371.988 where: short stacking energy: -551.836 Base-Backbone interact. energy: -1.585 local terms energy: -547.733025 where: bonds (distance) C4'-P energy: -88.619 bonds (distance) P-C4' energy: -102.091 flat angles C4'-P-C4' energy: -128.089 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: -151.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1682.457378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.457378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.457378 (E_RNA) where: Base-Base interactions energy: -1185.305 where: short stacking energy: -493.574 Base-Backbone interact. energy: 1.700 local terms energy: -498.852336 where: bonds (distance) C4'-P energy: -86.042 bonds (distance) P-C4' energy: -102.852 flat angles C4'-P-C4' energy: -106.845 flat angles P-C4'-P energy: -84.148 tors. eta vs tors. theta energy: -118.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2469.710376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.710376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.710376 (E_RNA) where: Base-Base interactions energy: -1783.517 where: short stacking energy: -701.788 Base-Backbone interact. energy: -3.049 local terms energy: -683.144170 where: bonds (distance) C4'-P energy: -121.931 bonds (distance) P-C4' energy: -120.708 flat angles C4'-P-C4' energy: -150.102 flat angles P-C4'-P energy: -93.313 tors. eta vs tors. theta energy: -197.089 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: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2454.952547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.952547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.952547 (E_RNA) where: Base-Base interactions energy: -1784.438 where: short stacking energy: -706.623 Base-Backbone interact. energy: -1.758 local terms energy: -668.756107 where: bonds (distance) C4'-P energy: -106.928 bonds (distance) P-C4' energy: -107.271 flat angles C4'-P-C4' energy: -151.610 flat angles P-C4'-P energy: -101.095 tors. eta vs tors. theta energy: -201.852 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: 74 Temperature: 1.000000 Total energy: -2348.012399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.012399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.012399 (E_RNA) where: Base-Base interactions energy: -1676.771 where: short stacking energy: -672.663 Base-Backbone interact. energy: -1.081 local terms energy: -670.160390 where: bonds (distance) C4'-P energy: -117.872 bonds (distance) P-C4' energy: -117.895 flat angles C4'-P-C4' energy: -139.369 flat angles P-C4'-P energy: -104.693 tors. eta vs tors. theta energy: -190.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2276.575426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.575426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.575426 (E_RNA) where: Base-Base interactions energy: -1638.395 where: short stacking energy: -641.899 Base-Backbone interact. energy: -0.845 local terms energy: -637.335522 where: bonds (distance) C4'-P energy: -122.173 bonds (distance) P-C4' energy: -117.962 flat angles C4'-P-C4' energy: -128.060 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -188.865 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: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2211.216701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.216701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.216701 (E_RNA) where: Base-Base interactions energy: -1607.957 where: short stacking energy: -621.626 Base-Backbone interact. energy: 0.289 local terms energy: -603.548892 where: bonds (distance) C4'-P energy: -107.170 bonds (distance) P-C4' energy: -112.802 flat angles C4'-P-C4' energy: -122.061 flat angles P-C4'-P energy: -92.072 tors. eta vs tors. theta energy: -169.444 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: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2205.672657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.672657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.672657 (E_RNA) where: Base-Base interactions energy: -1627.570 where: short stacking energy: -623.736 Base-Backbone interact. energy: 1.797 local terms energy: -579.899782 where: bonds (distance) C4'-P energy: -89.702 bonds (distance) P-C4' energy: -103.494 flat angles C4'-P-C4' energy: -127.708 flat angles P-C4'-P energy: -84.763 tors. eta vs tors. theta energy: -174.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -2100.061726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.061726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.061726 (E_RNA) where: Base-Base interactions energy: -1491.366 where: short stacking energy: -586.502 Base-Backbone interact. energy: -1.294 local terms energy: -607.401813 where: bonds (distance) C4'-P energy: -111.773 bonds (distance) P-C4' energy: -122.564 flat angles C4'-P-C4' energy: -120.996 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -165.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1989.618184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.618184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.618184 (E_RNA) where: Base-Base interactions energy: -1446.633 where: short stacking energy: -553.495 Base-Backbone interact. energy: -2.749 local terms energy: -540.235508 where: bonds (distance) C4'-P energy: -93.605 bonds (distance) P-C4' energy: -104.769 flat angles C4'-P-C4' energy: -104.228 flat angles P-C4'-P energy: -89.882 tors. eta vs tors. theta energy: -147.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1919.496237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.496237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.496237 (E_RNA) where: Base-Base interactions energy: -1372.616 where: short stacking energy: -542.703 Base-Backbone interact. energy: -0.841 local terms energy: -546.038286 where: bonds (distance) C4'-P energy: -105.804 bonds (distance) P-C4' energy: -93.253 flat angles C4'-P-C4' energy: -119.936 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -155.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1523.961646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.961646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.961646 (E_RNA) where: Base-Base interactions energy: -1094.561 where: short stacking energy: -430.101 Base-Backbone interact. energy: -1.578 local terms energy: -427.822714 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -93.239 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -107.819 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: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2488.641077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.641077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.641077 (E_RNA) where: Base-Base interactions energy: -1802.026 where: short stacking energy: -680.402 Base-Backbone interact. energy: -4.840 local terms energy: -681.774700 where: bonds (distance) C4'-P energy: -127.653 bonds (distance) P-C4' energy: -114.955 flat angles C4'-P-C4' energy: -147.343 flat angles P-C4'-P energy: -103.557 tors. eta vs tors. theta energy: -188.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2455.721079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.721079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.721079 (E_RNA) where: Base-Base interactions energy: -1765.122 where: short stacking energy: -704.100 Base-Backbone interact. energy: -1.658 local terms energy: -688.940542 where: bonds (distance) C4'-P energy: -125.183 bonds (distance) P-C4' energy: -116.720 flat angles C4'-P-C4' energy: -148.657 flat angles P-C4'-P energy: -102.529 tors. eta vs tors. theta energy: -195.852 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: 75 Temperature: 1.000000 Total energy: -2358.996253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.996253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.996253 (E_RNA) where: Base-Base interactions energy: -1688.545 where: short stacking energy: -675.239 Base-Backbone interact. energy: -2.034 local terms energy: -668.417628 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -116.539 flat angles C4'-P-C4' energy: -135.221 flat angles P-C4'-P energy: -96.352 tors. eta vs tors. theta energy: -195.668 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: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2262.993187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.993187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.993187 (E_RNA) where: Base-Base interactions energy: -1617.028 where: short stacking energy: -630.839 Base-Backbone interact. energy: 1.603 local terms energy: -647.568696 where: bonds (distance) C4'-P energy: -120.997 bonds (distance) P-C4' energy: -129.813 flat angles C4'-P-C4' energy: -125.580 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -173.937 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: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2197.673197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.673197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.673197 (E_RNA) where: Base-Base interactions energy: -1587.987 where: short stacking energy: -629.334 Base-Backbone interact. energy: -1.188 local terms energy: -608.498972 where: bonds (distance) C4'-P energy: -110.427 bonds (distance) P-C4' energy: -106.436 flat angles C4'-P-C4' energy: -135.566 flat angles P-C4'-P energy: -78.489 tors. eta vs tors. theta energy: -177.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2248.342114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.342114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.342114 (E_RNA) where: Base-Base interactions energy: -1647.748 where: short stacking energy: -635.560 Base-Backbone interact. energy: -2.974 local terms energy: -597.620197 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -96.151 flat angles C4'-P-C4' energy: -133.197 flat angles P-C4'-P energy: -84.874 tors. eta vs tors. theta energy: -171.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2086.179651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.179651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.179651 (E_RNA) where: Base-Base interactions energy: -1496.273 where: short stacking energy: -575.268 Base-Backbone interact. energy: 3.105 local terms energy: -593.011204 where: bonds (distance) C4'-P energy: -107.274 bonds (distance) P-C4' energy: -105.141 flat angles C4'-P-C4' energy: -141.546 flat angles P-C4'-P energy: -75.212 tors. eta vs tors. theta energy: -163.839 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: 75 Temperature: 1.250000 Total energy: -1988.946886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.946886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.946886 (E_RNA) where: Base-Base interactions energy: -1410.240 where: short stacking energy: -532.968 Base-Backbone interact. energy: -2.655 local terms energy: -576.052453 where: bonds (distance) C4'-P energy: -117.071 bonds (distance) P-C4' energy: -114.453 flat angles C4'-P-C4' energy: -116.484 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -141.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1902.319602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.319602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.319602 (E_RNA) where: Base-Base interactions energy: -1373.853 where: short stacking energy: -545.622 Base-Backbone interact. energy: -0.284 local terms energy: -528.182326 where: bonds (distance) C4'-P energy: -85.383 bonds (distance) P-C4' energy: -104.616 flat angles C4'-P-C4' energy: -119.187 flat angles P-C4'-P energy: -66.882 tors. eta vs tors. theta energy: -152.114 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: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1481.394318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.394318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.394318 (E_RNA) where: Base-Base interactions energy: -1029.358 where: short stacking energy: -425.477 Base-Backbone interact. energy: 0.085 local terms energy: -452.121960 where: bonds (distance) C4'-P energy: -74.515 bonds (distance) P-C4' energy: -116.859 flat angles C4'-P-C4' energy: -110.389 flat angles P-C4'-P energy: -67.705 tors. eta vs tors. theta energy: -82.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2490.965769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.965769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.965769 (E_RNA) where: Base-Base interactions energy: -1795.705 where: short stacking energy: -712.693 Base-Backbone interact. energy: -0.831 local terms energy: -694.430623 where: bonds (distance) C4'-P energy: -137.354 bonds (distance) P-C4' energy: -120.371 flat angles C4'-P-C4' energy: -140.862 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -203.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2464.209841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.209841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.209841 (E_RNA) where: Base-Base interactions energy: -1766.673 where: short stacking energy: -689.831 Base-Backbone interact. energy: -2.669 local terms energy: -694.867715 where: bonds (distance) C4'-P energy: -123.753 bonds (distance) P-C4' energy: -130.854 flat angles C4'-P-C4' energy: -146.631 flat angles P-C4'-P energy: -104.603 tors. eta vs tors. theta energy: -189.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2376.131674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.131674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.131674 (E_RNA) where: Base-Base interactions energy: -1730.719 where: short stacking energy: -672.098 Base-Backbone interact. energy: 1.198 local terms energy: -646.610485 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -117.838 flat angles C4'-P-C4' energy: -140.802 flat angles P-C4'-P energy: -92.902 tors. eta vs tors. theta energy: -186.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2287.571544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.571544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.571544 (E_RNA) where: Base-Base interactions energy: -1637.048 where: short stacking energy: -645.921 Base-Backbone interact. energy: 2.774 local terms energy: -653.297313 where: bonds (distance) C4'-P energy: -114.693 bonds (distance) P-C4' energy: -114.980 flat angles C4'-P-C4' energy: -134.124 flat angles P-C4'-P energy: -95.910 tors. eta vs tors. theta energy: -193.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2306.194995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.194995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.194995 (E_RNA) where: Base-Base interactions energy: -1680.023 where: short stacking energy: -642.266 Base-Backbone interact. energy: 3.218 local terms energy: -629.389768 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -120.827 flat angles C4'-P-C4' energy: -136.761 flat angles P-C4'-P energy: -90.880 tors. eta vs tors. theta energy: -182.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2108.070223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.070223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.070223 (E_RNA) where: Base-Base interactions energy: -1515.453 where: short stacking energy: -606.994 Base-Backbone interact. energy: -4.521 local terms energy: -588.096702 where: bonds (distance) C4'-P energy: -104.714 bonds (distance) P-C4' energy: -104.502 flat angles C4'-P-C4' energy: -127.290 flat angles P-C4'-P energy: -77.186 tors. eta vs tors. theta energy: -174.404 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: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2084.236905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.236905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.236905 (E_RNA) where: Base-Base interactions energy: -1542.273 where: short stacking energy: -591.752 Base-Backbone interact. energy: 3.330 local terms energy: -545.293708 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -106.719 flat angles C4'-P-C4' energy: -119.105 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: -164.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1975.407318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.407318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.407318 (E_RNA) where: Base-Base interactions energy: -1429.318 where: short stacking energy: -571.068 Base-Backbone interact. energy: 1.601 local terms energy: -547.690991 where: bonds (distance) C4'-P energy: -99.027 bonds (distance) P-C4' energy: -90.060 flat angles C4'-P-C4' energy: -128.001 flat angles P-C4'-P energy: -73.949 tors. eta vs tors. theta energy: -156.653 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: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1883.101893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.101893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.101893 (E_RNA) where: Base-Base interactions energy: -1319.420 where: short stacking energy: -536.211 Base-Backbone interact. energy: -1.326 local terms energy: -562.355819 where: bonds (distance) C4'-P energy: -105.618 bonds (distance) P-C4' energy: -107.896 flat angles C4'-P-C4' energy: -124.844 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -146.224 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: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1531.639087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.639087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.639087 (E_RNA) where: Base-Base interactions energy: -1104.498 where: short stacking energy: -444.985 Base-Backbone interact. energy: 4.050 local terms energy: -431.190550 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -92.369 flat angles C4'-P-C4' energy: -98.615 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -95.586 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: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2491.146806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.146806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.146806 (E_RNA) where: Base-Base interactions energy: -1796.246 where: short stacking energy: -708.340 Base-Backbone interact. energy: 0.654 local terms energy: -695.554689 where: bonds (distance) C4'-P energy: -125.699 bonds (distance) P-C4' energy: -113.568 flat angles C4'-P-C4' energy: -148.185 flat angles P-C4'-P energy: -105.953 tors. eta vs tors. theta energy: -202.150 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: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2454.250386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.250386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.250386 (E_RNA) where: Base-Base interactions energy: -1779.692 where: short stacking energy: -690.512 Base-Backbone interact. energy: 1.490 local terms energy: -676.048789 where: bonds (distance) C4'-P energy: -117.611 bonds (distance) P-C4' energy: -119.466 flat angles C4'-P-C4' energy: -142.904 flat angles P-C4'-P energy: -98.073 tors. eta vs tors. theta energy: -197.995 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: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2372.112298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.112298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.112298 (E_RNA) where: Base-Base interactions energy: -1706.841 where: short stacking energy: -664.311 Base-Backbone interact. energy: -1.609 local terms energy: -663.662314 where: bonds (distance) C4'-P energy: -124.000 bonds (distance) P-C4' energy: -121.693 flat angles C4'-P-C4' energy: -136.293 flat angles P-C4'-P energy: -99.547 tors. eta vs tors. theta energy: -182.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2343.022045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.022045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.022045 (E_RNA) where: Base-Base interactions energy: -1710.882 where: short stacking energy: -665.492 Base-Backbone interact. energy: 0.333 local terms energy: -632.472492 where: bonds (distance) C4'-P energy: -105.155 bonds (distance) P-C4' energy: -106.655 flat angles C4'-P-C4' energy: -148.150 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -181.801 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: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2197.345249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.345249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.345249 (E_RNA) where: Base-Base interactions energy: -1585.702 where: short stacking energy: -624.723 Base-Backbone interact. energy: -3.122 local terms energy: -608.520768 where: bonds (distance) C4'-P energy: -112.001 bonds (distance) P-C4' energy: -102.173 flat angles C4'-P-C4' energy: -131.344 flat angles P-C4'-P energy: -89.696 tors. eta vs tors. theta energy: -173.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2091.819300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.819300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.819300 (E_RNA) where: Base-Base interactions energy: -1475.656 where: short stacking energy: -585.417 Base-Backbone interact. energy: 2.911 local terms energy: -619.074220 where: bonds (distance) C4'-P energy: -110.846 bonds (distance) P-C4' energy: -122.473 flat angles C4'-P-C4' energy: -135.568 flat angles P-C4'-P energy: -84.843 tors. eta vs tors. theta energy: -165.344 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: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2090.100858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.100858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.100858 (E_RNA) where: Base-Base interactions energy: -1491.732 where: short stacking energy: -584.268 Base-Backbone interact. energy: -1.656 local terms energy: -596.712451 where: bonds (distance) C4'-P energy: -97.875 bonds (distance) P-C4' energy: -105.560 flat angles C4'-P-C4' energy: -132.375 flat angles P-C4'-P energy: -92.636 tors. eta vs tors. theta energy: -168.267 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: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1956.147550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.147550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.147550 (E_RNA) where: Base-Base interactions energy: -1408.217 where: short stacking energy: -573.077 Base-Backbone interact. energy: 2.959 local terms energy: -550.890043 where: bonds (distance) C4'-P energy: -102.528 bonds (distance) P-C4' energy: -78.913 flat angles C4'-P-C4' energy: -124.740 flat angles P-C4'-P energy: -87.210 tors. eta vs tors. theta energy: -157.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1883.968255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.968255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.968255 (E_RNA) where: Base-Base interactions energy: -1336.415 where: short stacking energy: -538.161 Base-Backbone interact. energy: 0.235 local terms energy: -547.788896 where: bonds (distance) C4'-P energy: -101.131 bonds (distance) P-C4' energy: -105.049 flat angles C4'-P-C4' energy: -112.431 flat angles P-C4'-P energy: -79.068 tors. eta vs tors. theta energy: -150.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1484.829619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.829619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.829619 (E_RNA) where: Base-Base interactions energy: -1009.642 where: short stacking energy: -408.623 Base-Backbone interact. energy: 0.646 local terms energy: -475.833610 where: bonds (distance) C4'-P energy: -98.826 bonds (distance) P-C4' energy: -81.057 flat angles C4'-P-C4' energy: -108.831 flat angles P-C4'-P energy: -83.438 tors. eta vs tors. theta energy: -103.682 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: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2479.247150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.247150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.247150 (E_RNA) where: Base-Base interactions energy: -1807.762 where: short stacking energy: -702.448 Base-Backbone interact. energy: -1.268 local terms energy: -670.217443 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -147.450 flat angles P-C4'-P energy: -91.471 tors. eta vs tors. theta energy: -193.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2446.511878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.511878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.511878 (E_RNA) where: Base-Base interactions energy: -1805.219 where: short stacking energy: -690.750 Base-Backbone interact. energy: 0.769 local terms energy: -642.062182 where: bonds (distance) C4'-P energy: -116.111 bonds (distance) P-C4' energy: -117.938 flat angles C4'-P-C4' energy: -129.847 flat angles P-C4'-P energy: -86.130 tors. eta vs tors. theta energy: -192.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2366.681546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.681546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.681546 (E_RNA) where: Base-Base interactions energy: -1700.959 where: short stacking energy: -668.373 Base-Backbone interact. energy: -0.331 local terms energy: -665.391998 where: bonds (distance) C4'-P energy: -124.300 bonds (distance) P-C4' energy: -120.645 flat angles C4'-P-C4' energy: -139.100 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -183.493 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: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2361.604680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.604680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.604680 (E_RNA) where: Base-Base interactions energy: -1731.447 where: short stacking energy: -660.017 Base-Backbone interact. energy: -5.470 local terms energy: -624.687895 where: bonds (distance) C4'-P energy: -110.295 bonds (distance) P-C4' energy: -113.782 flat angles C4'-P-C4' energy: -131.347 flat angles P-C4'-P energy: -80.960 tors. eta vs tors. theta energy: -188.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2239.613556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.613556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.613556 (E_RNA) where: Base-Base interactions energy: -1588.197 where: short stacking energy: -603.496 Base-Backbone interact. energy: -3.347 local terms energy: -648.069219 where: bonds (distance) C4'-P energy: -119.627 bonds (distance) P-C4' energy: -118.344 flat angles C4'-P-C4' energy: -137.395 flat angles P-C4'-P energy: -98.681 tors. eta vs tors. theta energy: -174.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2112.654640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.654640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.654640 (E_RNA) where: Base-Base interactions energy: -1495.096 where: short stacking energy: -585.155 Base-Backbone interact. energy: -0.337 local terms energy: -617.221079 where: bonds (distance) C4'-P energy: -115.290 bonds (distance) P-C4' energy: -122.602 flat angles C4'-P-C4' energy: -122.069 flat angles P-C4'-P energy: -89.703 tors. eta vs tors. theta energy: -167.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2086.965306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.965306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.965306 (E_RNA) where: Base-Base interactions energy: -1493.022 where: short stacking energy: -567.738 Base-Backbone interact. energy: -1.039 local terms energy: -592.904358 where: bonds (distance) C4'-P energy: -106.868 bonds (distance) P-C4' energy: -94.529 flat angles C4'-P-C4' energy: -133.459 flat angles P-C4'-P energy: -89.955 tors. eta vs tors. theta energy: -168.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1971.778157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.778157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.778157 (E_RNA) where: Base-Base interactions energy: -1396.759 where: short stacking energy: -533.328 Base-Backbone interact. energy: -0.517 local terms energy: -574.502666 where: bonds (distance) C4'-P energy: -99.177 bonds (distance) P-C4' energy: -106.652 flat angles C4'-P-C4' energy: -126.934 flat angles P-C4'-P energy: -83.672 tors. eta vs tors. theta energy: -158.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1948.778620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.778620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.778620 (E_RNA) where: Base-Base interactions energy: -1386.612 where: short stacking energy: -576.884 Base-Backbone interact. energy: 0.669 local terms energy: -562.835839 where: bonds (distance) C4'-P energy: -106.558 bonds (distance) P-C4' energy: -101.370 flat angles C4'-P-C4' energy: -110.976 flat angles P-C4'-P energy: -80.485 tors. eta vs tors. theta energy: -163.447 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: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1539.669083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.669083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.669083 (E_RNA) where: Base-Base interactions energy: -1053.745 where: short stacking energy: -447.770 Base-Backbone interact. energy: 1.315 local terms energy: -487.239167 where: bonds (distance) C4'-P energy: -81.673 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -83.556 tors. eta vs tors. theta energy: -105.780 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: 79 Temperature: 0.900000 Total energy: -2497.089439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.089439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.089439 (E_RNA) where: Base-Base interactions energy: -1809.558 where: short stacking energy: -708.332 Base-Backbone interact. energy: -1.348 local terms energy: -686.184157 where: bonds (distance) C4'-P energy: -127.311 bonds (distance) P-C4' energy: -127.921 flat angles C4'-P-C4' energy: -147.354 flat angles P-C4'-P energy: -81.829 tors. eta vs tors. theta energy: -201.770 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: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2459.698044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.698044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.698044 (E_RNA) where: Base-Base interactions energy: -1788.456 where: short stacking energy: -691.296 Base-Backbone interact. energy: -0.476 local terms energy: -670.765343 where: bonds (distance) C4'-P energy: -127.151 bonds (distance) P-C4' energy: -120.185 flat angles C4'-P-C4' energy: -139.506 flat angles P-C4'-P energy: -96.979 tors. eta vs tors. theta energy: -186.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2382.476515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.476515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.476515 (E_RNA) where: Base-Base interactions energy: -1723.927 where: short stacking energy: -651.882 Base-Backbone interact. energy: -0.670 local terms energy: -657.879302 where: bonds (distance) C4'-P energy: -115.382 bonds (distance) P-C4' energy: -124.579 flat angles C4'-P-C4' energy: -138.271 flat angles P-C4'-P energy: -95.119 tors. eta vs tors. theta energy: -184.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2362.764670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.764670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.764670 (E_RNA) where: Base-Base interactions energy: -1719.540 where: short stacking energy: -689.960 Base-Backbone interact. energy: -1.412 local terms energy: -641.812952 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -88.776 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -108.101 tors. eta vs tors. theta energy: -197.654 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: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2247.344972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.344972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.344972 (E_RNA) where: Base-Base interactions energy: -1607.068 where: short stacking energy: -628.005 Base-Backbone interact. energy: -0.667 local terms energy: -639.610033 where: bonds (distance) C4'-P energy: -115.281 bonds (distance) P-C4' energy: -123.367 flat angles C4'-P-C4' energy: -131.927 flat angles P-C4'-P energy: -83.585 tors. eta vs tors. theta energy: -185.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2111.049778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.049778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.049778 (E_RNA) where: Base-Base interactions energy: -1499.486 where: short stacking energy: -598.881 Base-Backbone interact. energy: -2.987 local terms energy: -608.576574 where: bonds (distance) C4'-P energy: -98.670 bonds (distance) P-C4' energy: -115.485 flat angles C4'-P-C4' energy: -133.420 flat angles P-C4'-P energy: -86.872 tors. eta vs tors. theta energy: -174.129 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: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1993.457659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.457659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.457659 (E_RNA) where: Base-Base interactions energy: -1463.146 where: short stacking energy: -556.024 Base-Backbone interact. energy: -3.111 local terms energy: -527.199815 where: bonds (distance) C4'-P energy: -77.590 bonds (distance) P-C4' energy: -113.419 flat angles C4'-P-C4' energy: -118.762 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -145.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1934.109515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.109515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.109515 (E_RNA) where: Base-Base interactions energy: -1375.946 where: short stacking energy: -558.406 Base-Backbone interact. energy: 0.279 local terms energy: -558.442569 where: bonds (distance) C4'-P energy: -96.786 bonds (distance) P-C4' energy: -100.592 flat angles C4'-P-C4' energy: -119.721 flat angles P-C4'-P energy: -82.708 tors. eta vs tors. theta energy: -158.636 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: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1897.381718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.381718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.381718 (E_RNA) where: Base-Base interactions energy: -1379.786 where: short stacking energy: -530.800 Base-Backbone interact. energy: 0.798 local terms energy: -518.393592 where: bonds (distance) C4'-P energy: -86.428 bonds (distance) P-C4' energy: -91.430 flat angles C4'-P-C4' energy: -122.107 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -142.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1584.698527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.698527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.698527 (E_RNA) where: Base-Base interactions energy: -1078.605 where: short stacking energy: -443.472 Base-Backbone interact. energy: -1.483 local terms energy: -504.610389 where: bonds (distance) C4'-P energy: -106.364 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -108.360 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: -119.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2500.272040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.272040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.272040 (E_RNA) where: Base-Base interactions energy: -1835.190 where: short stacking energy: -696.076 Base-Backbone interact. energy: -3.165 local terms energy: -661.916913 where: bonds (distance) C4'-P energy: -101.117 bonds (distance) P-C4' energy: -128.847 flat angles C4'-P-C4' energy: -148.920 flat angles P-C4'-P energy: -92.575 tors. eta vs tors. theta energy: -190.458 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: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2465.312619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.312619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.312619 (E_RNA) where: Base-Base interactions energy: -1769.149 where: short stacking energy: -692.391 Base-Backbone interact. energy: -1.274 local terms energy: -694.889724 where: bonds (distance) C4'-P energy: -120.249 bonds (distance) P-C4' energy: -132.470 flat angles C4'-P-C4' energy: -137.896 flat angles P-C4'-P energy: -109.035 tors. eta vs tors. theta energy: -195.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2421.565505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.565505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.565505 (E_RNA) where: Base-Base interactions energy: -1748.567 where: short stacking energy: -672.602 Base-Backbone interact. energy: -3.271 local terms energy: -669.728232 where: bonds (distance) C4'-P energy: -125.619 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -92.241 tors. eta vs tors. theta energy: -192.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2404.771194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.771194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.771194 (E_RNA) where: Base-Base interactions energy: -1741.631 where: short stacking energy: -680.092 Base-Backbone interact. energy: -4.824 local terms energy: -658.316440 where: bonds (distance) C4'-P energy: -115.391 bonds (distance) P-C4' energy: -116.348 flat angles C4'-P-C4' energy: -136.332 flat angles P-C4'-P energy: -97.359 tors. eta vs tors. theta energy: -192.886 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: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2238.207907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.207907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.207907 (E_RNA) where: Base-Base interactions energy: -1609.824 where: short stacking energy: -614.769 Base-Backbone interact. energy: -1.812 local terms energy: -626.571584 where: bonds (distance) C4'-P energy: -105.744 bonds (distance) P-C4' energy: -109.205 flat angles C4'-P-C4' energy: -137.011 flat angles P-C4'-P energy: -92.652 tors. eta vs tors. theta energy: -181.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2132.470319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.470319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.470319 (E_RNA) where: Base-Base interactions energy: -1550.768 where: short stacking energy: -606.533 Base-Backbone interact. energy: 1.317 local terms energy: -583.018883 where: bonds (distance) C4'-P energy: -94.200 bonds (distance) P-C4' energy: -104.507 flat angles C4'-P-C4' energy: -130.483 flat angles P-C4'-P energy: -85.941 tors. eta vs tors. theta energy: -167.888 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: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2018.755830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.755830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.755830 (E_RNA) where: Base-Base interactions energy: -1457.046 where: short stacking energy: -562.042 Base-Backbone interact. energy: 1.755 local terms energy: -563.464790 where: bonds (distance) C4'-P energy: -103.989 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -122.280 flat angles P-C4'-P energy: -77.874 tors. eta vs tors. theta energy: -161.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1876.767047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.767047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.767047 (E_RNA) where: Base-Base interactions energy: -1327.224 where: short stacking energy: -527.447 Base-Backbone interact. energy: -0.987 local terms energy: -548.556160 where: bonds (distance) C4'-P energy: -110.500 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -106.103 flat angles P-C4'-P energy: -68.887 tors. eta vs tors. theta energy: -152.154 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: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1859.228744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.228744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.228744 (E_RNA) where: Base-Base interactions energy: -1309.274 where: short stacking energy: -500.821 Base-Backbone interact. energy: 0.663 local terms energy: -550.617393 where: bonds (distance) C4'-P energy: -100.375 bonds (distance) P-C4' energy: -102.167 flat angles C4'-P-C4' energy: -114.005 flat angles P-C4'-P energy: -85.278 tors. eta vs tors. theta energy: -148.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1607.864477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.864477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.864477 (E_RNA) where: Base-Base interactions energy: -1128.671 where: short stacking energy: -451.821 Base-Backbone interact. energy: -1.276 local terms energy: -477.916900 where: bonds (distance) C4'-P energy: -96.501 bonds (distance) P-C4' energy: -78.819 flat angles C4'-P-C4' energy: -109.215 flat angles P-C4'-P energy: -76.752 tors. eta vs tors. theta energy: -116.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2500.117914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.117914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.117914 (E_RNA) where: Base-Base interactions energy: -1824.558 where: short stacking energy: -703.132 Base-Backbone interact. energy: -1.381 local terms energy: -674.178737 where: bonds (distance) C4'-P energy: -124.490 bonds (distance) P-C4' energy: -125.065 flat angles C4'-P-C4' energy: -142.906 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -190.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2427.828741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.828741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.828741 (E_RNA) where: Base-Base interactions energy: -1769.517 where: short stacking energy: -683.256 Base-Backbone interact. energy: -1.575 local terms energy: -656.736288 where: bonds (distance) C4'-P energy: -112.828 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -140.294 flat angles P-C4'-P energy: -81.555 tors. eta vs tors. theta energy: -194.267 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: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2444.456753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.456753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.456753 (E_RNA) where: Base-Base interactions energy: -1771.498 where: short stacking energy: -677.875 Base-Backbone interact. energy: -1.136 local terms energy: -671.822248 where: bonds (distance) C4'-P energy: -108.200 bonds (distance) P-C4' energy: -132.346 flat angles C4'-P-C4' energy: -137.911 flat angles P-C4'-P energy: -101.637 tors. eta vs tors. theta energy: -191.728 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: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2359.531709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.531709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.531709 (E_RNA) where: Base-Base interactions energy: -1711.967 where: short stacking energy: -679.468 Base-Backbone interact. energy: -0.760 local terms energy: -646.804567 where: bonds (distance) C4'-P energy: -120.242 bonds (distance) P-C4' energy: -106.781 flat angles C4'-P-C4' energy: -137.252 flat angles P-C4'-P energy: -85.908 tors. eta vs tors. theta energy: -196.621 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: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2233.000945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.000945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.000945 (E_RNA) where: Base-Base interactions energy: -1618.630 where: short stacking energy: -652.905 Base-Backbone interact. energy: -1.657 local terms energy: -612.713890 where: bonds (distance) C4'-P energy: -90.404 bonds (distance) P-C4' energy: -122.806 flat angles C4'-P-C4' energy: -131.137 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -184.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2172.376530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.376530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.376530 (E_RNA) where: Base-Base interactions energy: -1583.320 where: short stacking energy: -624.442 Base-Backbone interact. energy: -1.456 local terms energy: -587.600537 where: bonds (distance) C4'-P energy: -92.436 bonds (distance) P-C4' energy: -121.306 flat angles C4'-P-C4' energy: -121.241 flat angles P-C4'-P energy: -75.722 tors. eta vs tors. theta energy: -176.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2036.650833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.650833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.650833 (E_RNA) where: Base-Base interactions energy: -1489.409 where: short stacking energy: -577.817 Base-Backbone interact. energy: 3.021 local terms energy: -550.262166 where: bonds (distance) C4'-P energy: -98.144 bonds (distance) P-C4' energy: -107.102 flat angles C4'-P-C4' energy: -119.191 flat angles P-C4'-P energy: -72.464 tors. eta vs tors. theta energy: -153.361 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: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1895.546635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.546635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.546635 (E_RNA) where: Base-Base interactions energy: -1358.077 where: short stacking energy: -547.773 Base-Backbone interact. energy: -1.412 local terms energy: -536.057878 where: bonds (distance) C4'-P energy: -107.775 bonds (distance) P-C4' energy: -81.169 flat angles C4'-P-C4' energy: -124.984 flat angles P-C4'-P energy: -77.181 tors. eta vs tors. theta energy: -144.949 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1845.688939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.688939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.688939 (E_RNA) where: Base-Base interactions energy: -1315.734 where: short stacking energy: -525.416 Base-Backbone interact. energy: 3.693 local terms energy: -533.647843 where: bonds (distance) C4'-P energy: -103.168 bonds (distance) P-C4' energy: -90.744 flat angles C4'-P-C4' energy: -120.619 flat angles P-C4'-P energy: -77.814 tors. eta vs tors. theta energy: -141.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1630.293904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.293904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.293904 (E_RNA) where: Base-Base interactions energy: -1140.383 where: short stacking energy: -445.036 Base-Backbone interact. energy: -1.549 local terms energy: -488.361713 where: bonds (distance) C4'-P energy: -91.625 bonds (distance) P-C4' energy: -99.965 flat angles C4'-P-C4' energy: -109.370 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -113.172 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: 1, replica: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2460.068211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.068211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.068211 (E_RNA) where: Base-Base interactions energy: -1786.105 where: short stacking energy: -693.781 Base-Backbone interact. energy: 2.088 local terms energy: -676.051253 where: bonds (distance) C4'-P energy: -111.072 bonds (distance) P-C4' energy: -128.949 flat angles C4'-P-C4' energy: -139.050 flat angles P-C4'-P energy: -108.408 tors. eta vs tors. theta energy: -188.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2450.910698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.910698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.910698 (E_RNA) where: Base-Base interactions energy: -1753.380 where: short stacking energy: -686.921 Base-Backbone interact. energy: -1.325 local terms energy: -696.205555 where: bonds (distance) C4'-P energy: -127.925 bonds (distance) P-C4' energy: -124.131 flat angles C4'-P-C4' energy: -148.879 flat angles P-C4'-P energy: -93.285 tors. eta vs tors. theta energy: -201.986 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: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2434.479036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.479036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.479036 (E_RNA) where: Base-Base interactions energy: -1763.488 where: short stacking energy: -687.422 Base-Backbone interact. energy: -1.647 local terms energy: -669.343553 where: bonds (distance) C4'-P energy: -112.377 bonds (distance) P-C4' energy: -124.459 flat angles C4'-P-C4' energy: -146.141 flat angles P-C4'-P energy: -89.582 tors. eta vs tors. theta energy: -196.784 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: 82 Temperature: 1.050000 Total energy: -2391.221507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.221507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.221507 (E_RNA) where: Base-Base interactions energy: -1713.267 where: short stacking energy: -686.438 Base-Backbone interact. energy: -2.673 local terms energy: -675.281608 where: bonds (distance) C4'-P energy: -119.493 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -98.100 tors. eta vs tors. theta energy: -203.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2233.355323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.355323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.355323 (E_RNA) where: Base-Base interactions energy: -1618.583 where: short stacking energy: -628.331 Base-Backbone interact. energy: -2.326 local terms energy: -612.445543 where: bonds (distance) C4'-P energy: -99.723 bonds (distance) P-C4' energy: -112.086 flat angles C4'-P-C4' energy: -121.399 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -179.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2208.720606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.720606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.720606 (E_RNA) where: Base-Base interactions energy: -1568.540 where: short stacking energy: -613.988 Base-Backbone interact. energy: -0.965 local terms energy: -639.215677 where: bonds (distance) C4'-P energy: -119.659 bonds (distance) P-C4' energy: -117.306 flat angles C4'-P-C4' energy: -136.143 flat angles P-C4'-P energy: -82.588 tors. eta vs tors. theta energy: -183.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -2042.145102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.145102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.145102 (E_RNA) where: Base-Base interactions energy: -1448.320 where: short stacking energy: -572.923 Base-Backbone interact. energy: -0.405 local terms energy: -593.419561 where: bonds (distance) C4'-P energy: -106.062 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -121.730 flat angles P-C4'-P energy: -84.212 tors. eta vs tors. theta energy: -165.678 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: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1920.562071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.562071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.562071 (E_RNA) where: Base-Base interactions energy: -1388.549 where: short stacking energy: -550.763 Base-Backbone interact. energy: 6.386 local terms energy: -538.399072 where: bonds (distance) C4'-P energy: -93.521 bonds (distance) P-C4' energy: -108.180 flat angles C4'-P-C4' energy: -122.629 flat angles P-C4'-P energy: -61.341 tors. eta vs tors. theta energy: -152.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1834.102090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.102090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.102090 (E_RNA) where: Base-Base interactions energy: -1318.068 where: short stacking energy: -529.329 Base-Backbone interact. energy: 2.161 local terms energy: -518.194709 where: bonds (distance) C4'-P energy: -87.549 bonds (distance) P-C4' energy: -98.800 flat angles C4'-P-C4' energy: -117.478 flat angles P-C4'-P energy: -67.129 tors. eta vs tors. theta energy: -147.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1696.608929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.608929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.608929 (E_RNA) where: Base-Base interactions energy: -1188.624 where: short stacking energy: -480.565 Base-Backbone interact. energy: -0.579 local terms energy: -507.406335 where: bonds (distance) C4'-P energy: -88.556 bonds (distance) P-C4' energy: -101.338 flat angles C4'-P-C4' energy: -118.642 flat angles P-C4'-P energy: -75.221 tors. eta vs tors. theta energy: -123.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2480.777114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.777114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.777114 (E_RNA) where: Base-Base interactions energy: -1808.050 where: short stacking energy: -692.309 Base-Backbone interact. energy: -2.259 local terms energy: -670.468482 where: bonds (distance) C4'-P energy: -117.293 bonds (distance) P-C4' energy: -119.729 flat angles C4'-P-C4' energy: -143.612 flat angles P-C4'-P energy: -101.984 tors. eta vs tors. theta energy: -187.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2481.446672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.446672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.446672 (E_RNA) where: Base-Base interactions energy: -1800.245 where: short stacking energy: -699.080 Base-Backbone interact. energy: -0.540 local terms energy: -680.662284 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -126.306 flat angles C4'-P-C4' energy: -148.143 flat angles P-C4'-P energy: -97.550 tors. eta vs tors. theta energy: -193.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2392.842773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.842773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.842773 (E_RNA) where: Base-Base interactions energy: -1722.096 where: short stacking energy: -674.233 Base-Backbone interact. energy: 0.908 local terms energy: -671.655428 where: bonds (distance) C4'-P energy: -117.355 bonds (distance) P-C4' energy: -132.117 flat angles C4'-P-C4' energy: -141.503 flat angles P-C4'-P energy: -90.095 tors. eta vs tors. theta energy: -190.585 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: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2392.085641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.085641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.085641 (E_RNA) where: Base-Base interactions energy: -1754.692 where: short stacking energy: -669.336 Base-Backbone interact. energy: -0.028 local terms energy: -637.365472 where: bonds (distance) C4'-P energy: -115.640 bonds (distance) P-C4' energy: -115.312 flat angles C4'-P-C4' energy: -119.448 flat angles P-C4'-P energy: -93.281 tors. eta vs tors. theta energy: -193.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2224.230315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.230315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.230315 (E_RNA) where: Base-Base interactions energy: -1612.439 where: short stacking energy: -645.737 Base-Backbone interact. energy: -0.846 local terms energy: -610.944748 where: bonds (distance) C4'-P energy: -86.544 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -104.273 tors. eta vs tors. theta energy: -180.255 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: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2216.243325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.243325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.243325 (E_RNA) where: Base-Base interactions energy: -1604.023 where: short stacking energy: -625.646 Base-Backbone interact. energy: -2.281 local terms energy: -609.938821 where: bonds (distance) C4'-P energy: -114.002 bonds (distance) P-C4' energy: -82.338 flat angles C4'-P-C4' energy: -131.857 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -188.939 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: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -2046.019800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.019800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.019800 (E_RNA) where: Base-Base interactions energy: -1447.140 where: short stacking energy: -552.887 Base-Backbone interact. energy: 1.850 local terms energy: -600.729915 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -120.050 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -79.011 tors. eta vs tors. theta energy: -164.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1909.143571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.143571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.143571 (E_RNA) where: Base-Base interactions energy: -1351.446 where: short stacking energy: -535.046 Base-Backbone interact. energy: -0.840 local terms energy: -556.857900 where: bonds (distance) C4'-P energy: -113.740 bonds (distance) P-C4' energy: -107.056 flat angles C4'-P-C4' energy: -121.642 flat angles P-C4'-P energy: -71.904 tors. eta vs tors. theta energy: -142.517 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: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1804.719288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.719288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.719288 (E_RNA) where: Base-Base interactions energy: -1276.767 where: short stacking energy: -473.094 Base-Backbone interact. energy: -0.402 local terms energy: -527.549987 where: bonds (distance) C4'-P energy: -116.780 bonds (distance) P-C4' energy: -97.087 flat angles C4'-P-C4' energy: -124.597 flat angles P-C4'-P energy: -69.851 tors. eta vs tors. theta energy: -119.236 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: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1752.309365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.309365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.309365 (E_RNA) where: Base-Base interactions energy: -1231.370 where: short stacking energy: -498.060 Base-Backbone interact. energy: -2.938 local terms energy: -518.001919 where: bonds (distance) C4'-P energy: -94.799 bonds (distance) P-C4' energy: -100.478 flat angles C4'-P-C4' energy: -116.505 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -134.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2505.627182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.627182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.627182 (E_RNA) where: Base-Base interactions energy: -1811.020 where: short stacking energy: -705.652 Base-Backbone interact. energy: -1.418 local terms energy: -693.188923 where: bonds (distance) C4'-P energy: -124.546 bonds (distance) P-C4' energy: -119.366 flat angles C4'-P-C4' energy: -144.858 flat angles P-C4'-P energy: -98.243 tors. eta vs tors. theta energy: -206.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2431.676514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.676514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.676514 (E_RNA) where: Base-Base interactions energy: -1745.078 where: short stacking energy: -673.998 Base-Backbone interact. energy: -1.449 local terms energy: -685.150069 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -140.312 flat angles P-C4'-P energy: -101.594 tors. eta vs tors. theta energy: -195.058 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: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2409.559549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.559549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.559549 (E_RNA) where: Base-Base interactions energy: -1740.851 where: short stacking energy: -665.511 Base-Backbone interact. energy: -0.736 local terms energy: -667.973063 where: bonds (distance) C4'-P energy: -114.076 bonds (distance) P-C4' energy: -127.916 flat angles C4'-P-C4' energy: -136.277 flat angles P-C4'-P energy: -104.911 tors. eta vs tors. theta energy: -184.793 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: 84 Temperature: 1.050000 Total energy: -2391.426855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.426855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.426855 (E_RNA) where: Base-Base interactions energy: -1730.251 where: short stacking energy: -662.149 Base-Backbone interact. energy: -1.316 local terms energy: -659.860670 where: bonds (distance) C4'-P energy: -116.350 bonds (distance) P-C4' energy: -106.353 flat angles C4'-P-C4' energy: -136.258 flat angles P-C4'-P energy: -97.247 tors. eta vs tors. theta energy: -203.652 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: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2201.787325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.787325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.787325 (E_RNA) where: Base-Base interactions energy: -1588.861 where: short stacking energy: -610.446 Base-Backbone interact. energy: 2.250 local terms energy: -615.176364 where: bonds (distance) C4'-P energy: -105.675 bonds (distance) P-C4' energy: -100.835 flat angles C4'-P-C4' energy: -137.281 flat angles P-C4'-P energy: -87.677 tors. eta vs tors. theta energy: -183.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2194.316916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.316916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.316916 (E_RNA) where: Base-Base interactions energy: -1575.602 where: short stacking energy: -631.042 Base-Backbone interact. energy: 2.832 local terms energy: -621.546178 where: bonds (distance) C4'-P energy: -100.502 bonds (distance) P-C4' energy: -108.330 flat angles C4'-P-C4' energy: -133.911 flat angles P-C4'-P energy: -96.861 tors. eta vs tors. theta energy: -181.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1951.018470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.018470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.018470 (E_RNA) where: Base-Base interactions energy: -1368.397 where: short stacking energy: -543.898 Base-Backbone interact. energy: 2.764 local terms energy: -585.385733 where: bonds (distance) C4'-P energy: -104.351 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -135.120 flat angles P-C4'-P energy: -74.090 tors. eta vs tors. theta energy: -163.062 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: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1994.185980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.185980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.185980 (E_RNA) where: Base-Base interactions energy: -1457.910 where: short stacking energy: -568.904 Base-Backbone interact. energy: -0.461 local terms energy: -535.814810 where: bonds (distance) C4'-P energy: -103.754 bonds (distance) P-C4' energy: -87.222 flat angles C4'-P-C4' energy: -111.866 flat angles P-C4'-P energy: -67.333 tors. eta vs tors. theta energy: -165.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1835.438101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.438101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.438101 (E_RNA) where: Base-Base interactions energy: -1310.730 where: short stacking energy: -485.203 Base-Backbone interact. energy: -1.000 local terms energy: -523.707668 where: bonds (distance) C4'-P energy: -105.257 bonds (distance) P-C4' energy: -110.527 flat angles C4'-P-C4' energy: -111.592 flat angles P-C4'-P energy: -67.890 tors. eta vs tors. theta energy: -128.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1716.573686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.573686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.573686 (E_RNA) where: Base-Base interactions energy: -1203.754 where: short stacking energy: -484.834 Base-Backbone interact. energy: 3.462 local terms energy: -516.281174 where: bonds (distance) C4'-P energy: -85.420 bonds (distance) P-C4' energy: -102.931 flat angles C4'-P-C4' energy: -118.246 flat angles P-C4'-P energy: -82.975 tors. eta vs tors. theta energy: -126.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2513.417722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.417722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.417722 (E_RNA) where: Base-Base interactions energy: -1825.378 where: short stacking energy: -712.441 Base-Backbone interact. energy: -1.521 local terms energy: -686.518717 where: bonds (distance) C4'-P energy: -122.841 bonds (distance) P-C4' energy: -122.190 flat angles C4'-P-C4' energy: -146.092 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -200.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2451.864267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.864267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.864267 (E_RNA) where: Base-Base interactions energy: -1781.557 where: short stacking energy: -698.179 Base-Backbone interact. energy: -1.509 local terms energy: -668.798661 where: bonds (distance) C4'-P energy: -123.995 bonds (distance) P-C4' energy: -114.122 flat angles C4'-P-C4' energy: -142.191 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -194.097 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: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2389.297160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.297160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.297160 (E_RNA) where: Base-Base interactions energy: -1762.320 where: short stacking energy: -673.820 Base-Backbone interact. energy: 5.665 local terms energy: -632.641877 where: bonds (distance) C4'-P energy: -111.321 bonds (distance) P-C4' energy: -117.842 flat angles C4'-P-C4' energy: -123.413 flat angles P-C4'-P energy: -90.569 tors. eta vs tors. theta energy: -189.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2378.723274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.723274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.723274 (E_RNA) where: Base-Base interactions energy: -1729.183 where: short stacking energy: -678.368 Base-Backbone interact. energy: -1.841 local terms energy: -647.699515 where: bonds (distance) C4'-P energy: -116.141 bonds (distance) P-C4' energy: -107.137 flat angles C4'-P-C4' energy: -137.352 flat angles P-C4'-P energy: -93.969 tors. eta vs tors. theta energy: -193.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2195.342774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.342774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.342774 (E_RNA) where: Base-Base interactions energy: -1562.709 where: short stacking energy: -629.357 Base-Backbone interact. energy: 1.701 local terms energy: -634.334529 where: bonds (distance) C4'-P energy: -107.335 bonds (distance) P-C4' energy: -125.882 flat angles C4'-P-C4' energy: -129.656 flat angles P-C4'-P energy: -89.485 tors. eta vs tors. theta energy: -181.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2187.960767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.960767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.960767 (E_RNA) where: Base-Base interactions energy: -1570.839 where: short stacking energy: -630.682 Base-Backbone interact. energy: -3.214 local terms energy: -613.907677 where: bonds (distance) C4'-P energy: -89.759 bonds (distance) P-C4' energy: -119.704 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -90.900 tors. eta vs tors. theta energy: -182.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -2022.266306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.266306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.266306 (E_RNA) where: Base-Base interactions energy: -1442.737 where: short stacking energy: -587.923 Base-Backbone interact. energy: -0.049 local terms energy: -579.480403 where: bonds (distance) C4'-P energy: -94.252 bonds (distance) P-C4' energy: -106.385 flat angles C4'-P-C4' energy: -140.408 flat angles P-C4'-P energy: -73.585 tors. eta vs tors. theta energy: -164.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1993.407993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.407993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.407993 (E_RNA) where: Base-Base interactions energy: -1460.013 where: short stacking energy: -560.681 Base-Backbone interact. energy: 4.767 local terms energy: -538.161807 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -99.514 flat angles C4'-P-C4' energy: -119.219 flat angles P-C4'-P energy: -73.517 tors. eta vs tors. theta energy: -157.671 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: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1841.528956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.528956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.528956 (E_RNA) where: Base-Base interactions energy: -1324.728 where: short stacking energy: -522.511 Base-Backbone interact. energy: -0.953 local terms energy: -515.847549 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -77.061 flat angles C4'-P-C4' energy: -121.636 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -132.236 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: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1717.405755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.405755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.405755 (E_RNA) where: Base-Base interactions energy: -1224.614 where: short stacking energy: -465.746 Base-Backbone interact. energy: -1.364 local terms energy: -491.427136 where: bonds (distance) C4'-P energy: -82.935 bonds (distance) P-C4' energy: -95.576 flat angles C4'-P-C4' energy: -110.237 flat angles P-C4'-P energy: -84.275 tors. eta vs tors. theta energy: -118.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2487.248579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.248579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.248579 (E_RNA) where: Base-Base interactions energy: -1792.597 where: short stacking energy: -689.016 Base-Backbone interact. energy: 0.320 local terms energy: -694.970796 where: bonds (distance) C4'-P energy: -137.126 bonds (distance) P-C4' energy: -121.777 flat angles C4'-P-C4' energy: -139.230 flat angles P-C4'-P energy: -102.940 tors. eta vs tors. theta energy: -193.898 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: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2434.556389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.556389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.556389 (E_RNA) where: Base-Base interactions energy: -1748.540 where: short stacking energy: -672.993 Base-Backbone interact. energy: 0.940 local terms energy: -686.956706 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -130.729 flat angles C4'-P-C4' energy: -144.274 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -193.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2452.877090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.877090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.877090 (E_RNA) where: Base-Base interactions energy: -1753.689 where: short stacking energy: -692.990 Base-Backbone interact. energy: 1.387 local terms energy: -700.574518 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -122.179 flat angles C4'-P-C4' energy: -149.044 flat angles P-C4'-P energy: -99.632 tors. eta vs tors. theta energy: -206.713 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: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2389.451843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.451843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.451843 (E_RNA) where: Base-Base interactions energy: -1728.774 where: short stacking energy: -678.040 Base-Backbone interact. energy: 1.553 local terms energy: -662.231023 where: bonds (distance) C4'-P energy: -122.173 bonds (distance) P-C4' energy: -111.350 flat angles C4'-P-C4' energy: -144.693 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -196.070 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: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2269.640393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.640393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.640393 (E_RNA) where: Base-Base interactions energy: -1649.730 where: short stacking energy: -654.742 Base-Backbone interact. energy: 1.669 local terms energy: -621.579631 where: bonds (distance) C4'-P energy: -102.586 bonds (distance) P-C4' energy: -112.877 flat angles C4'-P-C4' energy: -131.620 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -194.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2207.925155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.925155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.925155 (E_RNA) where: Base-Base interactions energy: -1586.537 where: short stacking energy: -607.919 Base-Backbone interact. energy: -2.256 local terms energy: -619.131771 where: bonds (distance) C4'-P energy: -104.303 bonds (distance) P-C4' energy: -117.608 flat angles C4'-P-C4' energy: -139.420 flat angles P-C4'-P energy: -75.903 tors. eta vs tors. theta energy: -181.897 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: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -2040.295469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.295469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.295469 (E_RNA) where: Base-Base interactions energy: -1485.155 where: short stacking energy: -567.673 Base-Backbone interact. energy: 0.074 local terms energy: -555.214042 where: bonds (distance) C4'-P energy: -104.288 bonds (distance) P-C4' energy: -100.025 flat angles C4'-P-C4' energy: -137.577 flat angles P-C4'-P energy: -66.026 tors. eta vs tors. theta energy: -147.299 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: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1966.831210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.831210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.831210 (E_RNA) where: Base-Base interactions energy: -1392.369 where: short stacking energy: -558.537 Base-Backbone interact. energy: 0.167 local terms energy: -574.629301 where: bonds (distance) C4'-P energy: -104.684 bonds (distance) P-C4' energy: -101.908 flat angles C4'-P-C4' energy: -136.318 flat angles P-C4'-P energy: -78.595 tors. eta vs tors. theta energy: -153.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1818.389239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.389239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.389239 (E_RNA) where: Base-Base interactions energy: -1294.874 where: short stacking energy: -504.503 Base-Backbone interact. energy: 0.301 local terms energy: -523.816234 where: bonds (distance) C4'-P energy: -98.625 bonds (distance) P-C4' energy: -99.300 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -81.555 tors. eta vs tors. theta energy: -133.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1688.686316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.686316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.686316 (E_RNA) where: Base-Base interactions energy: -1197.360 where: short stacking energy: -467.633 Base-Backbone interact. energy: -2.873 local terms energy: -488.453434 where: bonds (distance) C4'-P energy: -82.161 bonds (distance) P-C4' energy: -90.854 flat angles C4'-P-C4' energy: -107.739 flat angles P-C4'-P energy: -80.476 tors. eta vs tors. theta energy: -127.223 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: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2509.939117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.939117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.939117 (E_RNA) where: Base-Base interactions energy: -1812.850 where: short stacking energy: -699.457 Base-Backbone interact. energy: -2.563 local terms energy: -694.526196 where: bonds (distance) C4'-P energy: -117.678 bonds (distance) P-C4' energy: -135.370 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -106.119 tors. eta vs tors. theta energy: -196.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2491.523923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.523923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.523923 (E_RNA) where: Base-Base interactions energy: -1797.450 where: short stacking energy: -707.346 Base-Backbone interact. energy: 1.248 local terms energy: -695.322103 where: bonds (distance) C4'-P energy: -118.830 bonds (distance) P-C4' energy: -128.608 flat angles C4'-P-C4' energy: -146.087 flat angles P-C4'-P energy: -98.278 tors. eta vs tors. theta energy: -203.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2398.246154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.246154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.246154 (E_RNA) where: Base-Base interactions energy: -1754.195 where: short stacking energy: -672.161 Base-Backbone interact. energy: -1.280 local terms energy: -642.771095 where: bonds (distance) C4'-P energy: -102.238 bonds (distance) P-C4' energy: -116.860 flat angles C4'-P-C4' energy: -138.559 flat angles P-C4'-P energy: -101.051 tors. eta vs tors. theta energy: -184.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2350.388268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.388268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.388268 (E_RNA) where: Base-Base interactions energy: -1696.860 where: short stacking energy: -653.422 Base-Backbone interact. energy: -0.520 local terms energy: -653.009100 where: bonds (distance) C4'-P energy: -108.303 bonds (distance) P-C4' energy: -118.603 flat angles C4'-P-C4' energy: -142.889 flat angles P-C4'-P energy: -90.233 tors. eta vs tors. theta energy: -192.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2256.564321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.564321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.564321 (E_RNA) where: Base-Base interactions energy: -1643.850 where: short stacking energy: -644.006 Base-Backbone interact. energy: -2.130 local terms energy: -610.583813 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -103.538 flat angles C4'-P-C4' energy: -133.151 flat angles P-C4'-P energy: -83.360 tors. eta vs tors. theta energy: -184.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2156.653456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.653456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.653456 (E_RNA) where: Base-Base interactions energy: -1559.722 where: short stacking energy: -604.669 Base-Backbone interact. energy: -0.743 local terms energy: -596.188780 where: bonds (distance) C4'-P energy: -110.933 bonds (distance) P-C4' energy: -111.038 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -182.246 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: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -2033.309042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.309042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.309042 (E_RNA) where: Base-Base interactions energy: -1442.094 where: short stacking energy: -564.948 Base-Backbone interact. energy: -2.523 local terms energy: -588.691914 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -113.014 flat angles C4'-P-C4' energy: -130.084 flat angles P-C4'-P energy: -71.414 tors. eta vs tors. theta energy: -155.278 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: 87 Temperature: 1.250000 Total energy: -1952.593806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.593806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.593806 (E_RNA) where: Base-Base interactions energy: -1375.799 where: short stacking energy: -559.614 Base-Backbone interact. energy: -1.333 local terms energy: -575.461940 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -117.141 flat angles C4'-P-C4' energy: -131.191 flat angles P-C4'-P energy: -61.240 tors. eta vs tors. theta energy: -164.547 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: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1880.111036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.111036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.111036 (E_RNA) where: Base-Base interactions energy: -1332.951 where: short stacking energy: -509.431 Base-Backbone interact. energy: 0.787 local terms energy: -547.946928 where: bonds (distance) C4'-P energy: -111.049 bonds (distance) P-C4' energy: -109.406 flat angles C4'-P-C4' energy: -114.744 flat angles P-C4'-P energy: -79.885 tors. eta vs tors. theta energy: -132.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1703.817579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.817579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.817579 (E_RNA) where: Base-Base interactions energy: -1206.750 where: short stacking energy: -478.445 Base-Backbone interact. energy: -1.180 local terms energy: -495.887376 where: bonds (distance) C4'-P energy: -90.521 bonds (distance) P-C4' energy: -104.494 flat angles C4'-P-C4' energy: -112.781 flat angles P-C4'-P energy: -58.675 tors. eta vs tors. theta energy: -129.417 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: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2512.916664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.916664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.916664 (E_RNA) where: Base-Base interactions energy: -1813.458 where: short stacking energy: -711.032 Base-Backbone interact. energy: -1.061 local terms energy: -698.397134 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -127.578 flat angles C4'-P-C4' energy: -151.462 flat angles P-C4'-P energy: -95.935 tors. eta vs tors. theta energy: -209.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2462.491060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.491060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.491060 (E_RNA) where: Base-Base interactions energy: -1774.987 where: short stacking energy: -708.232 Base-Backbone interact. energy: 1.230 local terms energy: -688.734344 where: bonds (distance) C4'-P energy: -124.105 bonds (distance) P-C4' energy: -118.878 flat angles C4'-P-C4' energy: -138.122 flat angles P-C4'-P energy: -104.360 tors. eta vs tors. theta energy: -203.269 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: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2403.721839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.721839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.721839 (E_RNA) where: Base-Base interactions energy: -1744.729 where: short stacking energy: -674.487 Base-Backbone interact. energy: -0.352 local terms energy: -658.640091 where: bonds (distance) C4'-P energy: -118.085 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -133.486 flat angles P-C4'-P energy: -97.063 tors. eta vs tors. theta energy: -190.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2347.613141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.613141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.613141 (E_RNA) where: Base-Base interactions energy: -1709.361 where: short stacking energy: -661.870 Base-Backbone interact. energy: -0.633 local terms energy: -637.619898 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -113.393 flat angles C4'-P-C4' energy: -138.983 flat angles P-C4'-P energy: -84.748 tors. eta vs tors. theta energy: -186.722 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: 8 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2265.923819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.923819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.923819 (E_RNA) where: Base-Base interactions energy: -1636.156 where: short stacking energy: -650.943 Base-Backbone interact. energy: -0.512 local terms energy: -629.255490 where: bonds (distance) C4'-P energy: -98.481 bonds (distance) P-C4' energy: -109.756 flat angles C4'-P-C4' energy: -131.082 flat angles P-C4'-P energy: -92.173 tors. eta vs tors. theta energy: -197.762 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: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2188.011838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.011838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.011838 (E_RNA) where: Base-Base interactions energy: -1574.820 where: short stacking energy: -613.925 Base-Backbone interact. energy: 1.776 local terms energy: -614.967871 where: bonds (distance) C4'-P energy: -97.817 bonds (distance) P-C4' energy: -113.427 flat angles C4'-P-C4' energy: -138.127 flat angles P-C4'-P energy: -95.083 tors. eta vs tors. theta energy: -170.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -2041.065175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.065175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.065175 (E_RNA) where: Base-Base interactions energy: -1457.648 where: short stacking energy: -558.280 Base-Backbone interact. energy: -2.635 local terms energy: -580.782432 where: bonds (distance) C4'-P energy: -112.340 bonds (distance) P-C4' energy: -91.118 flat angles C4'-P-C4' energy: -130.637 flat angles P-C4'-P energy: -89.335 tors. eta vs tors. theta energy: -157.352 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1976.252184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.252184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.252184 (E_RNA) where: Base-Base interactions energy: -1388.536 where: short stacking energy: -561.224 Base-Backbone interact. energy: -0.527 local terms energy: -587.189274 where: bonds (distance) C4'-P energy: -111.280 bonds (distance) P-C4' energy: -114.489 flat angles C4'-P-C4' energy: -127.419 flat angles P-C4'-P energy: -80.939 tors. eta vs tors. theta energy: -153.062 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: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1887.723370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.723370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.723370 (E_RNA) where: Base-Base interactions energy: -1326.554 where: short stacking energy: -514.955 Base-Backbone interact. energy: -1.890 local terms energy: -559.279140 where: bonds (distance) C4'-P energy: -100.797 bonds (distance) P-C4' energy: -107.250 flat angles C4'-P-C4' energy: -119.842 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -153.585 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: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1664.454574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.454574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.454574 (E_RNA) where: Base-Base interactions energy: -1154.722 where: short stacking energy: -455.213 Base-Backbone interact. energy: -2.969 local terms energy: -506.763580 where: bonds (distance) C4'-P energy: -100.541 bonds (distance) P-C4' energy: -99.775 flat angles C4'-P-C4' energy: -118.855 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -114.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2557.509750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.509750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.509750 (E_RNA) where: Base-Base interactions energy: -1837.265 where: short stacking energy: -728.399 Base-Backbone interact. energy: -3.330 local terms energy: -716.914885 where: bonds (distance) C4'-P energy: -132.662 bonds (distance) P-C4' energy: -127.375 flat angles C4'-P-C4' energy: -154.893 flat angles P-C4'-P energy: -96.632 tors. eta vs tors. theta energy: -205.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2420.932894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.932894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.932894 (E_RNA) where: Base-Base interactions energy: -1756.762 where: short stacking energy: -687.787 Base-Backbone interact. energy: -1.768 local terms energy: -662.402638 where: bonds (distance) C4'-P energy: -115.355 bonds (distance) P-C4' energy: -119.662 flat angles C4'-P-C4' energy: -146.312 flat angles P-C4'-P energy: -92.947 tors. eta vs tors. theta energy: -188.127 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: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2433.572534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.572534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.572534 (E_RNA) where: Base-Base interactions energy: -1771.917 where: short stacking energy: -683.350 Base-Backbone interact. energy: -2.445 local terms energy: -659.210409 where: bonds (distance) C4'-P energy: -116.295 bonds (distance) P-C4' energy: -109.065 flat angles C4'-P-C4' energy: -140.895 flat angles P-C4'-P energy: -93.651 tors. eta vs tors. theta energy: -199.305 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: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2377.952942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.952942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.952942 (E_RNA) where: Base-Base interactions energy: -1738.767 where: short stacking energy: -673.600 Base-Backbone interact. energy: 2.100 local terms energy: -641.286503 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -102.378 flat angles C4'-P-C4' energy: -135.575 flat angles P-C4'-P energy: -87.678 tors. eta vs tors. theta energy: -196.489 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: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2265.123232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.123232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.123232 (E_RNA) where: Base-Base interactions energy: -1628.579 where: short stacking energy: -641.519 Base-Backbone interact. energy: -1.647 local terms energy: -634.897429 where: bonds (distance) C4'-P energy: -119.672 bonds (distance) P-C4' energy: -104.252 flat angles C4'-P-C4' energy: -137.170 flat angles P-C4'-P energy: -91.296 tors. eta vs tors. theta energy: -182.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2216.381217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.381217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.381217 (E_RNA) where: Base-Base interactions energy: -1586.222 where: short stacking energy: -622.477 Base-Backbone interact. energy: -0.424 local terms energy: -629.735817 where: bonds (distance) C4'-P energy: -99.921 bonds (distance) P-C4' energy: -122.582 flat angles C4'-P-C4' energy: -134.499 flat angles P-C4'-P energy: -97.353 tors. eta vs tors. theta energy: -175.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2022.131875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.131875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.131875 (E_RNA) where: Base-Base interactions energy: -1439.548 where: short stacking energy: -562.987 Base-Backbone interact. energy: -0.677 local terms energy: -581.907361 where: bonds (distance) C4'-P energy: -81.787 bonds (distance) P-C4' energy: -118.825 flat angles C4'-P-C4' energy: -131.791 flat angles P-C4'-P energy: -93.292 tors. eta vs tors. theta energy: -156.212 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: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1985.865111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.865111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.865111 (E_RNA) where: Base-Base interactions energy: -1415.016 where: short stacking energy: -548.535 Base-Backbone interact. energy: 1.343 local terms energy: -572.192464 where: bonds (distance) C4'-P energy: -104.881 bonds (distance) P-C4' energy: -105.546 flat angles C4'-P-C4' energy: -127.501 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -155.216 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: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1896.795577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.795577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.795577 (E_RNA) where: Base-Base interactions energy: -1365.351 where: short stacking energy: -559.584 Base-Backbone interact. energy: -1.097 local terms energy: -530.348188 where: bonds (distance) C4'-P energy: -93.391 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -69.311 tors. eta vs tors. theta energy: -145.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1637.404657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.404657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.404657 (E_RNA) where: Base-Base interactions energy: -1156.811 where: short stacking energy: -485.953 Base-Backbone interact. energy: 3.199 local terms energy: -483.793000 where: bonds (distance) C4'-P energy: -78.759 bonds (distance) P-C4' energy: -91.640 flat angles C4'-P-C4' energy: -113.259 flat angles P-C4'-P energy: -77.467 tors. eta vs tors. theta energy: -122.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2554.462860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.462860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.462860 (E_RNA) where: Base-Base interactions energy: -1850.394 where: short stacking energy: -729.344 Base-Backbone interact. energy: -0.894 local terms energy: -703.175540 where: bonds (distance) C4'-P energy: -122.092 bonds (distance) P-C4' energy: -122.635 flat angles C4'-P-C4' energy: -152.934 flat angles P-C4'-P energy: -92.157 tors. eta vs tors. theta energy: -213.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2418.433774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.433774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.433774 (E_RNA) where: Base-Base interactions energy: -1735.867 where: short stacking energy: -657.244 Base-Backbone interact. energy: -1.137 local terms energy: -681.429207 where: bonds (distance) C4'-P energy: -113.446 bonds (distance) P-C4' energy: -126.619 flat angles C4'-P-C4' energy: -145.939 flat angles P-C4'-P energy: -105.160 tors. eta vs tors. theta energy: -190.265 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: 90 Temperature: 1.000000 Total energy: -2448.560509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.560509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.560509 (E_RNA) where: Base-Base interactions energy: -1767.977 where: short stacking energy: -687.117 Base-Backbone interact. energy: -1.340 local terms energy: -679.243433 where: bonds (distance) C4'-P energy: -117.107 bonds (distance) P-C4' energy: -116.162 flat angles C4'-P-C4' energy: -150.026 flat angles P-C4'-P energy: -102.647 tors. eta vs tors. theta energy: -193.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2365.403315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.403315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.403315 (E_RNA) where: Base-Base interactions energy: -1731.663 where: short stacking energy: -657.468 Base-Backbone interact. energy: -2.496 local terms energy: -631.244714 where: bonds (distance) C4'-P energy: -118.350 bonds (distance) P-C4' energy: -111.968 flat angles C4'-P-C4' energy: -133.692 flat angles P-C4'-P energy: -87.593 tors. eta vs tors. theta energy: -179.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2227.276807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.276807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.276807 (E_RNA) where: Base-Base interactions energy: -1605.276 where: short stacking energy: -636.937 Base-Backbone interact. energy: -1.274 local terms energy: -620.726285 where: bonds (distance) C4'-P energy: -112.894 bonds (distance) P-C4' energy: -104.199 flat angles C4'-P-C4' energy: -128.011 flat angles P-C4'-P energy: -87.774 tors. eta vs tors. theta energy: -187.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2241.612273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.612273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.612273 (E_RNA) where: Base-Base interactions energy: -1629.182 where: short stacking energy: -629.638 Base-Backbone interact. energy: -0.197 local terms energy: -612.233086 where: bonds (distance) C4'-P energy: -112.523 bonds (distance) P-C4' energy: -103.005 flat angles C4'-P-C4' energy: -129.448 flat angles P-C4'-P energy: -77.437 tors. eta vs tors. theta energy: -189.820 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: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2013.008064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.008064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.008064 (E_RNA) where: Base-Base interactions energy: -1443.188 where: short stacking energy: -560.057 Base-Backbone interact. energy: 4.714 local terms energy: -574.533946 where: bonds (distance) C4'-P energy: -99.219 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -117.695 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -169.857 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: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1960.659232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.659232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.659232 (E_RNA) where: Base-Base interactions energy: -1403.673 where: short stacking energy: -542.651 Base-Backbone interact. energy: -1.306 local terms energy: -555.679672 where: bonds (distance) C4'-P energy: -102.573 bonds (distance) P-C4' energy: -93.032 flat angles C4'-P-C4' energy: -130.434 flat angles P-C4'-P energy: -74.510 tors. eta vs tors. theta energy: -155.132 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: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1929.835756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.835756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.835756 (E_RNA) where: Base-Base interactions energy: -1359.937 where: short stacking energy: -520.917 Base-Backbone interact. energy: -0.880 local terms energy: -569.018926 where: bonds (distance) C4'-P energy: -107.261 bonds (distance) P-C4' energy: -113.653 flat angles C4'-P-C4' energy: -121.078 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -153.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1681.140141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.140141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.140141 (E_RNA) where: Base-Base interactions energy: -1186.303 where: short stacking energy: -468.242 Base-Backbone interact. energy: -2.915 local terms energy: -491.921833 where: bonds (distance) C4'-P energy: -99.297 bonds (distance) P-C4' energy: -96.873 flat angles C4'-P-C4' energy: -109.496 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -117.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2539.156617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.156617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.156617 (E_RNA) where: Base-Base interactions energy: -1838.052 where: short stacking energy: -712.461 Base-Backbone interact. energy: 2.131 local terms energy: -703.235059 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -135.915 flat angles C4'-P-C4' energy: -146.399 flat angles P-C4'-P energy: -100.482 tors. eta vs tors. theta energy: -201.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2474.886934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.886934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.886934 (E_RNA) where: Base-Base interactions energy: -1808.724 where: short stacking energy: -702.512 Base-Backbone interact. energy: -0.493 local terms energy: -665.670586 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -122.934 flat angles C4'-P-C4' energy: -140.624 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -189.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2379.381730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.381730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.381730 (E_RNA) where: Base-Base interactions energy: -1733.268 where: short stacking energy: -676.448 Base-Backbone interact. energy: -2.206 local terms energy: -643.906994 where: bonds (distance) C4'-P energy: -120.897 bonds (distance) P-C4' energy: -110.871 flat angles C4'-P-C4' energy: -135.195 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -184.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2385.006006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.006006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.006006 (E_RNA) where: Base-Base interactions energy: -1736.135 where: short stacking energy: -671.623 Base-Backbone interact. energy: 0.559 local terms energy: -649.430749 where: bonds (distance) C4'-P energy: -119.013 bonds (distance) P-C4' energy: -104.798 flat angles C4'-P-C4' energy: -145.374 flat angles P-C4'-P energy: -88.878 tors. eta vs tors. theta energy: -191.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2204.156730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.156730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.156730 (E_RNA) where: Base-Base interactions energy: -1586.206 where: short stacking energy: -628.173 Base-Backbone interact. energy: 0.425 local terms energy: -618.375719 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -115.751 flat angles C4'-P-C4' energy: -123.212 flat angles P-C4'-P energy: -107.570 tors. eta vs tors. theta energy: -180.940 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: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2225.914591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.914591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.914591 (E_RNA) where: Base-Base interactions energy: -1591.821 where: short stacking energy: -630.423 Base-Backbone interact. energy: -1.942 local terms energy: -632.151466 where: bonds (distance) C4'-P energy: -113.981 bonds (distance) P-C4' energy: -109.966 flat angles C4'-P-C4' energy: -143.367 flat angles P-C4'-P energy: -82.678 tors. eta vs tors. theta energy: -182.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -2018.712814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.712814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.712814 (E_RNA) where: Base-Base interactions energy: -1459.795 where: short stacking energy: -560.446 Base-Backbone interact. energy: -2.143 local terms energy: -556.774527 where: bonds (distance) C4'-P energy: -106.879 bonds (distance) P-C4' energy: -94.341 flat angles C4'-P-C4' energy: -126.254 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -150.750 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: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1965.325234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.325234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.325234 (E_RNA) where: Base-Base interactions energy: -1407.840 where: short stacking energy: -567.329 Base-Backbone interact. energy: -0.915 local terms energy: -556.569514 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -85.247 flat angles C4'-P-C4' energy: -132.157 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -157.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1913.298984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.298984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.298984 (E_RNA) where: Base-Base interactions energy: -1370.212 where: short stacking energy: -547.705 Base-Backbone interact. energy: -0.025 local terms energy: -543.061445 where: bonds (distance) C4'-P energy: -84.903 bonds (distance) P-C4' energy: -106.772 flat angles C4'-P-C4' energy: -128.754 flat angles P-C4'-P energy: -72.760 tors. eta vs tors. theta energy: -149.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1771.517255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.517255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.517255 (E_RNA) where: Base-Base interactions energy: -1273.229 where: short stacking energy: -499.312 Base-Backbone interact. energy: 4.374 local terms energy: -502.662348 where: bonds (distance) C4'-P energy: -102.526 bonds (distance) P-C4' energy: -87.181 flat angles C4'-P-C4' energy: -108.026 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -140.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2577.944462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.944462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.944462 (E_RNA) where: Base-Base interactions energy: -1881.301 where: short stacking energy: -738.768 Base-Backbone interact. energy: -3.408 local terms energy: -693.235006 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -149.580 flat angles P-C4'-P energy: -92.763 tors. eta vs tors. theta energy: -208.132 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: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2466.591435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.591435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.591435 (E_RNA) where: Base-Base interactions energy: -1776.043 where: short stacking energy: -702.028 Base-Backbone interact. energy: 1.345 local terms energy: -691.893608 where: bonds (distance) C4'-P energy: -124.454 bonds (distance) P-C4' energy: -119.192 flat angles C4'-P-C4' energy: -155.974 flat angles P-C4'-P energy: -104.673 tors. eta vs tors. theta energy: -187.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2406.724603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.724603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.724603 (E_RNA) where: Base-Base interactions energy: -1730.205 where: short stacking energy: -669.977 Base-Backbone interact. energy: 0.648 local terms energy: -677.167659 where: bonds (distance) C4'-P energy: -121.272 bonds (distance) P-C4' energy: -126.484 flat angles C4'-P-C4' energy: -142.864 flat angles P-C4'-P energy: -99.473 tors. eta vs tors. theta energy: -187.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2363.008783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.008783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.008783 (E_RNA) where: Base-Base interactions energy: -1703.495 where: short stacking energy: -669.622 Base-Backbone interact. energy: 0.287 local terms energy: -659.800781 where: bonds (distance) C4'-P energy: -126.726 bonds (distance) P-C4' energy: -106.721 flat angles C4'-P-C4' energy: -141.564 flat angles P-C4'-P energy: -84.807 tors. eta vs tors. theta energy: -199.983 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: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2301.827539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.827539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.827539 (E_RNA) where: Base-Base interactions energy: -1667.917 where: short stacking energy: -651.555 Base-Backbone interact. energy: -0.594 local terms energy: -633.316214 where: bonds (distance) C4'-P energy: -105.245 bonds (distance) P-C4' energy: -111.982 flat angles C4'-P-C4' energy: -136.372 flat angles P-C4'-P energy: -86.485 tors. eta vs tors. theta energy: -193.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2199.762360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.762360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.762360 (E_RNA) where: Base-Base interactions energy: -1572.334 where: short stacking energy: -624.869 Base-Backbone interact. energy: 0.631 local terms energy: -628.058542 where: bonds (distance) C4'-P energy: -98.966 bonds (distance) P-C4' energy: -124.768 flat angles C4'-P-C4' energy: -132.202 flat angles P-C4'-P energy: -85.298 tors. eta vs tors. theta energy: -186.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1991.751643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.751643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.751643 (E_RNA) where: Base-Base interactions energy: -1435.617 where: short stacking energy: -544.094 Base-Backbone interact. energy: -0.851 local terms energy: -555.284376 where: bonds (distance) C4'-P energy: -93.900 bonds (distance) P-C4' energy: -103.479 flat angles C4'-P-C4' energy: -121.756 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: -162.784 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: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1973.262937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.262937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.262937 (E_RNA) where: Base-Base interactions energy: -1408.982 where: short stacking energy: -558.508 Base-Backbone interact. energy: 2.465 local terms energy: -566.745892 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -103.895 flat angles C4'-P-C4' energy: -126.522 flat angles P-C4'-P energy: -82.205 tors. eta vs tors. theta energy: -153.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1895.546449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.546449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.546449 (E_RNA) where: Base-Base interactions energy: -1327.037 where: short stacking energy: -520.319 Base-Backbone interact. energy: -1.077 local terms energy: -567.433251 where: bonds (distance) C4'-P energy: -113.512 bonds (distance) P-C4' energy: -97.403 flat angles C4'-P-C4' energy: -114.395 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -159.470 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: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1738.673594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.673594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.673594 (E_RNA) where: Base-Base interactions energy: -1244.202 where: short stacking energy: -503.010 Base-Backbone interact. energy: -2.006 local terms energy: -492.465499 where: bonds (distance) C4'-P energy: -103.124 bonds (distance) P-C4' energy: -91.001 flat angles C4'-P-C4' energy: -106.411 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -131.862 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: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2593.759523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.759523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.759523 (E_RNA) where: Base-Base interactions energy: -1881.090 where: short stacking energy: -733.973 Base-Backbone interact. energy: 0.905 local terms energy: -713.574443 where: bonds (distance) C4'-P energy: -122.927 bonds (distance) P-C4' energy: -130.612 flat angles C4'-P-C4' energy: -145.505 flat angles P-C4'-P energy: -102.876 tors. eta vs tors. theta energy: -211.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2474.935583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.935583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.935583 (E_RNA) where: Base-Base interactions energy: -1815.892 where: short stacking energy: -716.036 Base-Backbone interact. energy: -0.893 local terms energy: -658.150781 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -130.248 flat angles C4'-P-C4' energy: -139.727 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -191.977 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: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2360.544448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.544448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.544448 (E_RNA) where: Base-Base interactions energy: -1722.697 where: short stacking energy: -657.691 Base-Backbone interact. energy: -0.499 local terms energy: -637.348250 where: bonds (distance) C4'-P energy: -113.589 bonds (distance) P-C4' energy: -110.607 flat angles C4'-P-C4' energy: -135.646 flat angles P-C4'-P energy: -102.063 tors. eta vs tors. theta energy: -175.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2382.168358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.168358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.168358 (E_RNA) where: Base-Base interactions energy: -1742.418 where: short stacking energy: -668.168 Base-Backbone interact. energy: -2.989 local terms energy: -636.761256 where: bonds (distance) C4'-P energy: -105.445 bonds (distance) P-C4' energy: -112.969 flat angles C4'-P-C4' energy: -141.130 flat angles P-C4'-P energy: -87.811 tors. eta vs tors. theta energy: -189.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2290.636453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.636453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.636453 (E_RNA) where: Base-Base interactions energy: -1658.178 where: short stacking energy: -651.123 Base-Backbone interact. energy: 1.946 local terms energy: -634.404773 where: bonds (distance) C4'-P energy: -109.961 bonds (distance) P-C4' energy: -113.480 flat angles C4'-P-C4' energy: -136.849 flat angles P-C4'-P energy: -92.510 tors. eta vs tors. theta energy: -181.605 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: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2200.265128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.265128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.265128 (E_RNA) where: Base-Base interactions energy: -1583.750 where: short stacking energy: -628.532 Base-Backbone interact. energy: -2.620 local terms energy: -613.895623 where: bonds (distance) C4'-P energy: -116.749 bonds (distance) P-C4' energy: -112.416 flat angles C4'-P-C4' energy: -121.387 flat angles P-C4'-P energy: -89.084 tors. eta vs tors. theta energy: -174.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2049.990528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.990528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.990528 (E_RNA) where: Base-Base interactions energy: -1473.368 where: short stacking energy: -584.160 Base-Backbone interact. energy: -1.729 local terms energy: -574.892809 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -117.010 flat angles C4'-P-C4' energy: -116.905 flat angles P-C4'-P energy: -74.508 tors. eta vs tors. theta energy: -162.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1981.577391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.577391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.577391 (E_RNA) where: Base-Base interactions energy: -1431.212 where: short stacking energy: -530.403 Base-Backbone interact. energy: -1.830 local terms energy: -548.536001 where: bonds (distance) C4'-P energy: -117.631 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -109.410 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -152.151 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: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1904.243801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.243801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.243801 (E_RNA) where: Base-Base interactions energy: -1363.357 where: short stacking energy: -531.687 Base-Backbone interact. energy: 1.355 local terms energy: -542.241241 where: bonds (distance) C4'-P energy: -82.040 bonds (distance) P-C4' energy: -95.250 flat angles C4'-P-C4' energy: -127.519 flat angles P-C4'-P energy: -84.485 tors. eta vs tors. theta energy: -152.948 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: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1850.366194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.366194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.366194 (E_RNA) where: Base-Base interactions energy: -1338.608 where: short stacking energy: -539.868 Base-Backbone interact. energy: 0.018 local terms energy: -511.776268 where: bonds (distance) C4'-P energy: -105.919 bonds (distance) P-C4' energy: -87.611 flat angles C4'-P-C4' energy: -103.056 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -136.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2582.478468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.478468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.478468 (E_RNA) where: Base-Base interactions energy: -1890.361 where: short stacking energy: -732.461 Base-Backbone interact. energy: -3.415 local terms energy: -688.701730 where: bonds (distance) C4'-P energy: -120.425 bonds (distance) P-C4' energy: -115.868 flat angles C4'-P-C4' energy: -148.905 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -205.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2440.558839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.558839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.558839 (E_RNA) where: Base-Base interactions energy: -1766.992 where: short stacking energy: -680.737 Base-Backbone interact. energy: 0.133 local terms energy: -673.700541 where: bonds (distance) C4'-P energy: -112.417 bonds (distance) P-C4' energy: -126.108 flat angles C4'-P-C4' energy: -141.509 flat angles P-C4'-P energy: -102.340 tors. eta vs tors. theta energy: -191.327 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: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2344.601436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.601436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.601436 (E_RNA) where: Base-Base interactions energy: -1711.931 where: short stacking energy: -652.257 Base-Backbone interact. energy: 1.738 local terms energy: -634.408554 where: bonds (distance) C4'-P energy: -111.499 bonds (distance) P-C4' energy: -119.272 flat angles C4'-P-C4' energy: -131.265 flat angles P-C4'-P energy: -90.406 tors. eta vs tors. theta energy: -181.966 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: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2409.652422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.652422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.652422 (E_RNA) where: Base-Base interactions energy: -1746.509 where: short stacking energy: -670.748 Base-Backbone interact. energy: -3.044 local terms energy: -660.099012 where: bonds (distance) C4'-P energy: -118.890 bonds (distance) P-C4' energy: -121.353 flat angles C4'-P-C4' energy: -141.735 flat angles P-C4'-P energy: -83.516 tors. eta vs tors. theta energy: -194.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2271.364226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.364226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.364226 (E_RNA) where: Base-Base interactions energy: -1650.207 where: short stacking energy: -630.271 Base-Backbone interact. energy: -0.848 local terms energy: -620.309337 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -137.881 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -183.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2166.198234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.198234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.198234 (E_RNA) where: Base-Base interactions energy: -1544.957 where: short stacking energy: -610.155 Base-Backbone interact. energy: 2.250 local terms energy: -623.491259 where: bonds (distance) C4'-P energy: -113.652 bonds (distance) P-C4' energy: -118.247 flat angles C4'-P-C4' energy: -128.373 flat angles P-C4'-P energy: -89.593 tors. eta vs tors. theta energy: -173.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2033.291171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.291171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.291171 (E_RNA) where: Base-Base interactions energy: -1463.057 where: short stacking energy: -575.878 Base-Backbone interact. energy: -3.109 local terms energy: -567.124969 where: bonds (distance) C4'-P energy: -107.081 bonds (distance) P-C4' energy: -109.049 flat angles C4'-P-C4' energy: -130.420 flat angles P-C4'-P energy: -67.660 tors. eta vs tors. theta energy: -152.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1957.456147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.456147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.456147 (E_RNA) where: Base-Base interactions energy: -1408.559 where: short stacking energy: -539.040 Base-Backbone interact. energy: -0.991 local terms energy: -547.906579 where: bonds (distance) C4'-P energy: -101.540 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -117.632 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -153.823 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: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1902.408197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.408197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.408197 (E_RNA) where: Base-Base interactions energy: -1369.489 where: short stacking energy: -543.621 Base-Backbone interact. energy: -1.201 local terms energy: -531.718638 where: bonds (distance) C4'-P energy: -95.753 bonds (distance) P-C4' energy: -98.377 flat angles C4'-P-C4' energy: -113.459 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -153.988 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: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1876.632481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.632481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.632481 (E_RNA) where: Base-Base interactions energy: -1365.521 where: short stacking energy: -549.364 Base-Backbone interact. energy: 3.749 local terms energy: -514.860588 where: bonds (distance) C4'-P energy: -78.107 bonds (distance) P-C4' energy: -101.851 flat angles C4'-P-C4' energy: -120.508 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -142.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2577.445564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.445564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.445564 (E_RNA) where: Base-Base interactions energy: -1878.993 where: short stacking energy: -735.649 Base-Backbone interact. energy: -0.960 local terms energy: -697.492860 where: bonds (distance) C4'-P energy: -132.220 bonds (distance) P-C4' energy: -121.591 flat angles C4'-P-C4' energy: -139.812 flat angles P-C4'-P energy: -102.378 tors. eta vs tors. theta energy: -201.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2438.503477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.503477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.503477 (E_RNA) where: Base-Base interactions energy: -1755.690 where: short stacking energy: -697.512 Base-Backbone interact. energy: -0.034 local terms energy: -682.779958 where: bonds (distance) C4'-P energy: -124.551 bonds (distance) P-C4' energy: -119.560 flat angles C4'-P-C4' energy: -150.384 flat angles P-C4'-P energy: -96.803 tors. eta vs tors. theta energy: -191.482 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: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2380.242685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.242685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.242685 (E_RNA) where: Base-Base interactions energy: -1718.865 where: short stacking energy: -665.358 Base-Backbone interact. energy: -1.184 local terms energy: -660.194279 where: bonds (distance) C4'-P energy: -115.979 bonds (distance) P-C4' energy: -129.278 flat angles C4'-P-C4' energy: -145.783 flat angles P-C4'-P energy: -90.659 tors. eta vs tors. theta energy: -178.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2343.942985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.942985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.942985 (E_RNA) where: Base-Base interactions energy: -1695.319 where: short stacking energy: -641.606 Base-Backbone interact. energy: -0.763 local terms energy: -647.860251 where: bonds (distance) C4'-P energy: -120.734 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -136.589 flat angles P-C4'-P energy: -90.742 tors. eta vs tors. theta energy: -182.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2318.904712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.904712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.904712 (E_RNA) where: Base-Base interactions energy: -1677.015 where: short stacking energy: -639.263 Base-Backbone interact. energy: 1.080 local terms energy: -642.969127 where: bonds (distance) C4'-P energy: -120.577 bonds (distance) P-C4' energy: -115.728 flat angles C4'-P-C4' energy: -135.436 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: -186.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2179.352641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.352641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.352641 (E_RNA) where: Base-Base interactions energy: -1581.013 where: short stacking energy: -620.302 Base-Backbone interact. energy: -1.839 local terms energy: -596.500621 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -109.232 flat angles C4'-P-C4' energy: -137.618 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -183.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2043.111250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.111250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.111250 (E_RNA) where: Base-Base interactions energy: -1464.793 where: short stacking energy: -548.335 Base-Backbone interact. energy: -1.171 local terms energy: -577.146892 where: bonds (distance) C4'-P energy: -106.436 bonds (distance) P-C4' energy: -114.563 flat angles C4'-P-C4' energy: -124.013 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -157.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1956.218840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.218840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.218840 (E_RNA) where: Base-Base interactions energy: -1405.934 where: short stacking energy: -562.442 Base-Backbone interact. energy: 6.164 local terms energy: -556.448823 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -99.999 flat angles C4'-P-C4' energy: -125.482 flat angles P-C4'-P energy: -83.914 tors. eta vs tors. theta energy: -154.454 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: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1878.866201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.866201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.866201 (E_RNA) where: Base-Base interactions energy: -1324.504 where: short stacking energy: -521.962 Base-Backbone interact. energy: -1.713 local terms energy: -552.649132 where: bonds (distance) C4'-P energy: -111.514 bonds (distance) P-C4' energy: -110.906 flat angles C4'-P-C4' energy: -116.366 flat angles P-C4'-P energy: -71.545 tors. eta vs tors. theta energy: -142.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1858.228073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.228073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.228073 (E_RNA) where: Base-Base interactions energy: -1347.995 where: short stacking energy: -519.443 Base-Backbone interact. energy: -1.397 local terms energy: -508.835557 where: bonds (distance) C4'-P energy: -84.672 bonds (distance) P-C4' energy: -109.711 flat angles C4'-P-C4' energy: -107.487 flat angles P-C4'-P energy: -62.069 tors. eta vs tors. theta energy: -144.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2580.916868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.916868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.916868 (E_RNA) where: Base-Base interactions energy: -1887.541 where: short stacking energy: -736.414 Base-Backbone interact. energy: 1.466 local terms energy: -694.841823 where: bonds (distance) C4'-P energy: -113.951 bonds (distance) P-C4' energy: -131.658 flat angles C4'-P-C4' energy: -146.286 flat angles P-C4'-P energy: -97.174 tors. eta vs tors. theta energy: -205.772 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: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2463.327590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.327590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.327590 (E_RNA) where: Base-Base interactions energy: -1790.479 where: short stacking energy: -707.285 Base-Backbone interact. energy: 0.061 local terms energy: -672.909832 where: bonds (distance) C4'-P energy: -114.332 bonds (distance) P-C4' energy: -128.047 flat angles C4'-P-C4' energy: -143.170 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -195.679 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: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2388.237357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.237357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.237357 (E_RNA) where: Base-Base interactions energy: -1720.237 where: short stacking energy: -682.436 Base-Backbone interact. energy: -0.042 local terms energy: -667.958535 where: bonds (distance) C4'-P energy: -119.378 bonds (distance) P-C4' energy: -119.552 flat angles C4'-P-C4' energy: -138.460 flat angles P-C4'-P energy: -94.092 tors. eta vs tors. theta energy: -196.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2342.783215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.783215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.783215 (E_RNA) where: Base-Base interactions energy: -1697.732 where: short stacking energy: -663.792 Base-Backbone interact. energy: -0.516 local terms energy: -644.535015 where: bonds (distance) C4'-P energy: -125.739 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -137.014 flat angles P-C4'-P energy: -102.262 tors. eta vs tors. theta energy: -185.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2329.508208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.508208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.508208 (E_RNA) where: Base-Base interactions energy: -1678.980 where: short stacking energy: -636.786 Base-Backbone interact. energy: -2.220 local terms energy: -648.308450 where: bonds (distance) C4'-P energy: -123.823 bonds (distance) P-C4' energy: -115.926 flat angles C4'-P-C4' energy: -132.490 flat angles P-C4'-P energy: -91.069 tors. eta vs tors. theta energy: -185.001 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: 96 Temperature: 1.150000 Total energy: -2206.244027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.244027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.244027 (E_RNA) where: Base-Base interactions energy: -1575.284 where: short stacking energy: -619.162 Base-Backbone interact. energy: -2.842 local terms energy: -628.117944 where: bonds (distance) C4'-P energy: -117.017 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -132.635 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -187.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1996.766212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.766212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.766212 (E_RNA) where: Base-Base interactions energy: -1422.965 where: short stacking energy: -563.779 Base-Backbone interact. energy: -1.812 local terms energy: -571.989420 where: bonds (distance) C4'-P energy: -100.129 bonds (distance) P-C4' energy: -102.930 flat angles C4'-P-C4' energy: -122.361 flat angles P-C4'-P energy: -89.834 tors. eta vs tors. theta energy: -156.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1937.343524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.343524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.343524 (E_RNA) where: Base-Base interactions energy: -1368.957 where: short stacking energy: -526.954 Base-Backbone interact. energy: 2.917 local terms energy: -571.303495 where: bonds (distance) C4'-P energy: -108.905 bonds (distance) P-C4' energy: -97.414 flat angles C4'-P-C4' energy: -136.221 flat angles P-C4'-P energy: -70.571 tors. eta vs tors. theta energy: -158.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1895.164077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.164077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.164077 (E_RNA) where: Base-Base interactions energy: -1344.426 where: short stacking energy: -515.979 Base-Backbone interact. energy: -2.251 local terms energy: -548.487232 where: bonds (distance) C4'-P energy: -92.060 bonds (distance) P-C4' energy: -113.551 flat angles C4'-P-C4' energy: -125.684 flat angles P-C4'-P energy: -79.545 tors. eta vs tors. theta energy: -137.647 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: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1806.993646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.993646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.993646 (E_RNA) where: Base-Base interactions energy: -1296.513 where: short stacking energy: -500.468 Base-Backbone interact. energy: 0.169 local terms energy: -510.649482 where: bonds (distance) C4'-P energy: -84.608 bonds (distance) P-C4' energy: -102.045 flat angles C4'-P-C4' energy: -108.764 flat angles P-C4'-P energy: -73.836 tors. eta vs tors. theta energy: -141.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2562.873444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.873444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.873444 (E_RNA) where: Base-Base interactions energy: -1872.201 where: short stacking energy: -717.739 Base-Backbone interact. energy: -1.622 local terms energy: -689.050391 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -129.985 flat angles C4'-P-C4' energy: -147.084 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -202.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2446.264455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.264455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.264455 (E_RNA) where: Base-Base interactions energy: -1752.630 where: short stacking energy: -696.338 Base-Backbone interact. energy: -1.211 local terms energy: -692.423663 where: bonds (distance) C4'-P energy: -116.638 bonds (distance) P-C4' energy: -128.065 flat angles C4'-P-C4' energy: -142.557 flat angles P-C4'-P energy: -99.283 tors. eta vs tors. theta energy: -205.880 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: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2470.690063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.690063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.690063 (E_RNA) where: Base-Base interactions energy: -1800.287 where: short stacking energy: -699.209 Base-Backbone interact. energy: 0.349 local terms energy: -670.752303 where: bonds (distance) C4'-P energy: -123.293 bonds (distance) P-C4' energy: -115.234 flat angles C4'-P-C4' energy: -144.570 flat angles P-C4'-P energy: -99.777 tors. eta vs tors. theta energy: -187.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2361.458510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.458510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.458510 (E_RNA) where: Base-Base interactions energy: -1733.011 where: short stacking energy: -663.082 Base-Backbone interact. energy: -2.330 local terms energy: -626.117348 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -127.087 flat angles C4'-P-C4' energy: -136.777 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -185.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2279.793184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.793184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.793184 (E_RNA) where: Base-Base interactions energy: -1653.829 where: short stacking energy: -650.793 Base-Backbone interact. energy: 2.645 local terms energy: -628.609366 where: bonds (distance) C4'-P energy: -80.375 bonds (distance) P-C4' energy: -126.690 flat angles C4'-P-C4' energy: -142.691 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -186.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2213.376524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.376524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.376524 (E_RNA) where: Base-Base interactions energy: -1597.993 where: short stacking energy: -605.849 Base-Backbone interact. energy: 7.625 local terms energy: -623.008301 where: bonds (distance) C4'-P energy: -106.541 bonds (distance) P-C4' energy: -114.183 flat angles C4'-P-C4' energy: -125.607 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -184.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2011.079051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.079051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.079051 (E_RNA) where: Base-Base interactions energy: -1436.977 where: short stacking energy: -564.033 Base-Backbone interact. energy: 2.293 local terms energy: -576.394911 where: bonds (distance) C4'-P energy: -104.588 bonds (distance) P-C4' energy: -110.439 flat angles C4'-P-C4' energy: -118.171 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -159.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -2003.846402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.846402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.846402 (E_RNA) where: Base-Base interactions energy: -1450.305 where: short stacking energy: -563.370 Base-Backbone interact. energy: -0.496 local terms energy: -553.046051 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -132.504 flat angles P-C4'-P energy: -74.974 tors. eta vs tors. theta energy: -158.549 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: 9, replica: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1933.296593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.296593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.296593 (E_RNA) where: Base-Base interactions energy: -1410.075 where: short stacking energy: -544.485 Base-Backbone interact. energy: -0.405 local terms energy: -522.816058 where: bonds (distance) C4'-P energy: -94.971 bonds (distance) P-C4' energy: -103.655 flat angles C4'-P-C4' energy: -109.809 flat angles P-C4'-P energy: -60.898 tors. eta vs tors. theta energy: -153.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1820.314304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.314304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.314304 (E_RNA) where: Base-Base interactions energy: -1273.680 where: short stacking energy: -493.088 Base-Backbone interact. energy: 0.846 local terms energy: -547.480521 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -107.121 flat angles C4'-P-C4' energy: -124.976 flat angles P-C4'-P energy: -79.877 tors. eta vs tors. theta energy: -153.620 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: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2576.670650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.670650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.670650 (E_RNA) where: Base-Base interactions energy: -1883.329 where: short stacking energy: -734.715 Base-Backbone interact. energy: -2.679 local terms energy: -690.662986 where: bonds (distance) C4'-P energy: -114.926 bonds (distance) P-C4' energy: -116.919 flat angles C4'-P-C4' energy: -150.684 flat angles P-C4'-P energy: -94.789 tors. eta vs tors. theta energy: -213.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2465.521277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.521277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.521277 (E_RNA) where: Base-Base interactions energy: -1784.479 where: short stacking energy: -709.712 Base-Backbone interact. energy: 1.290 local terms energy: -682.332124 where: bonds (distance) C4'-P energy: -121.863 bonds (distance) P-C4' energy: -123.234 flat angles C4'-P-C4' energy: -135.141 flat angles P-C4'-P energy: -98.795 tors. eta vs tors. theta energy: -203.299 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: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2418.602101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.602101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.602101 (E_RNA) where: Base-Base interactions energy: -1750.314 where: short stacking energy: -697.663 Base-Backbone interact. energy: -1.189 local terms energy: -667.099151 where: bonds (distance) C4'-P energy: -120.175 bonds (distance) P-C4' energy: -122.026 flat angles C4'-P-C4' energy: -143.809 flat angles P-C4'-P energy: -94.667 tors. eta vs tors. theta energy: -186.421 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: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2373.774113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.774113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.774113 (E_RNA) where: Base-Base interactions energy: -1729.166 where: short stacking energy: -665.027 Base-Backbone interact. energy: 1.441 local terms energy: -646.048957 where: bonds (distance) C4'-P energy: -105.518 bonds (distance) P-C4' energy: -120.784 flat angles C4'-P-C4' energy: -142.147 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -188.165 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: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2260.336689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.336689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.336689 (E_RNA) where: Base-Base interactions energy: -1634.661 where: short stacking energy: -633.328 Base-Backbone interact. energy: 0.900 local terms energy: -626.575879 where: bonds (distance) C4'-P energy: -123.236 bonds (distance) P-C4' energy: -105.649 flat angles C4'-P-C4' energy: -124.933 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -176.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2246.609179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.609179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.609179 (E_RNA) where: Base-Base interactions energy: -1640.649 where: short stacking energy: -639.537 Base-Backbone interact. energy: 0.164 local terms energy: -606.124077 where: bonds (distance) C4'-P energy: -100.379 bonds (distance) P-C4' energy: -107.784 flat angles C4'-P-C4' energy: -138.570 flat angles P-C4'-P energy: -73.648 tors. eta vs tors. theta energy: -185.743 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: 98 Temperature: 1.200000 Total energy: -2049.564220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.564220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.564220 (E_RNA) where: Base-Base interactions energy: -1500.386 where: short stacking energy: -589.739 Base-Backbone interact. energy: 1.179 local terms energy: -550.356895 where: bonds (distance) C4'-P energy: -96.862 bonds (distance) P-C4' energy: -96.339 flat angles C4'-P-C4' energy: -118.153 flat angles P-C4'-P energy: -89.338 tors. eta vs tors. theta energy: -149.664 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1969.135745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.135745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.135745 (E_RNA) where: Base-Base interactions energy: -1392.504 where: short stacking energy: -538.213 Base-Backbone interact. energy: -1.697 local terms energy: -574.934878 where: bonds (distance) C4'-P energy: -99.696 bonds (distance) P-C4' energy: -116.250 flat angles C4'-P-C4' energy: -132.301 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -148.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1979.328203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.328203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.328203 (E_RNA) where: Base-Base interactions energy: -1423.419 where: short stacking energy: -545.061 Base-Backbone interact. energy: 0.563 local terms energy: -556.472332 where: bonds (distance) C4'-P energy: -82.286 bonds (distance) P-C4' energy: -111.444 flat angles C4'-P-C4' energy: -119.045 flat angles P-C4'-P energy: -84.569 tors. eta vs tors. theta energy: -159.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1756.616530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.616530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.616530 (E_RNA) where: Base-Base interactions energy: -1246.400 where: short stacking energy: -511.160 Base-Backbone interact. energy: 2.059 local terms energy: -512.275461 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -98.561 flat angles C4'-P-C4' energy: -105.898 flat angles P-C4'-P energy: -72.421 tors. eta vs tors. theta energy: -135.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2573.967069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.967069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.967069 (E_RNA) where: Base-Base interactions energy: -1869.128 where: short stacking energy: -727.941 Base-Backbone interact. energy: 2.519 local terms energy: -707.358842 where: bonds (distance) C4'-P energy: -129.903 bonds (distance) P-C4' energy: -127.843 flat angles C4'-P-C4' energy: -147.065 flat angles P-C4'-P energy: -96.969 tors. eta vs tors. theta energy: -205.579 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: 99 Temperature: 0.950000 Total energy: -2459.871332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.871332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.871332 (E_RNA) where: Base-Base interactions energy: -1788.950 where: short stacking energy: -699.092 Base-Backbone interact. energy: -0.934 local terms energy: -669.986966 where: bonds (distance) C4'-P energy: -110.893 bonds (distance) P-C4' energy: -111.641 flat angles C4'-P-C4' energy: -148.945 flat angles P-C4'-P energy: -102.910 tors. eta vs tors. theta energy: -195.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2424.585843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.585843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.585843 (E_RNA) where: Base-Base interactions energy: -1721.830 where: short stacking energy: -701.409 Base-Backbone interact. energy: -1.347 local terms energy: -701.409508 where: bonds (distance) C4'-P energy: -113.194 bonds (distance) P-C4' energy: -132.121 flat angles C4'-P-C4' energy: -148.699 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -208.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2361.325999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.325999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.325999 (E_RNA) where: Base-Base interactions energy: -1690.641 where: short stacking energy: -670.365 Base-Backbone interact. energy: -1.568 local terms energy: -669.116753 where: bonds (distance) C4'-P energy: -123.754 bonds (distance) P-C4' energy: -124.179 flat angles C4'-P-C4' energy: -135.271 flat angles P-C4'-P energy: -93.547 tors. eta vs tors. theta energy: -192.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2268.702020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.702020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.702020 (E_RNA) where: Base-Base interactions energy: -1656.885 where: short stacking energy: -633.740 Base-Backbone interact. energy: 1.332 local terms energy: -613.149136 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -106.250 flat angles C4'-P-C4' energy: -134.540 flat angles P-C4'-P energy: -93.211 tors. eta vs tors. theta energy: -178.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2277.147513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.147513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.147513 (E_RNA) where: Base-Base interactions energy: -1658.420 where: short stacking energy: -653.335 Base-Backbone interact. energy: -2.436 local terms energy: -616.291627 where: bonds (distance) C4'-P energy: -110.855 bonds (distance) P-C4' energy: -113.565 flat angles C4'-P-C4' energy: -132.424 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -180.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2008.908234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.908234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.908234 (E_RNA) where: Base-Base interactions energy: -1473.284 where: short stacking energy: -556.834 Base-Backbone interact. energy: 2.595 local terms energy: -538.219056 where: bonds (distance) C4'-P energy: -101.893 bonds (distance) P-C4' energy: -79.588 flat angles C4'-P-C4' energy: -123.265 flat angles P-C4'-P energy: -78.061 tors. eta vs tors. theta energy: -155.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -2081.121486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.121486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.121486 (E_RNA) where: Base-Base interactions energy: -1497.995 where: short stacking energy: -603.457 Base-Backbone interact. energy: 0.119 local terms energy: -583.245601 where: bonds (distance) C4'-P energy: -98.164 bonds (distance) P-C4' energy: -101.298 flat angles C4'-P-C4' energy: -126.965 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -181.185 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: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1942.321045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.321045 (E_RNA) where: Base-Base interactions energy: -1380.989 where: short stacking energy: -544.555 Base-Backbone interact. energy: 4.099 local terms energy: -565.430978 where: bonds (distance) C4'-P energy: -93.949 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -137.841 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -149.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1800.917639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.917639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.917639 (E_RNA) where: Base-Base interactions energy: -1271.548 where: short stacking energy: -491.901 Base-Backbone interact. energy: 0.435 local terms energy: -529.804274 where: bonds (distance) C4'-P energy: -112.199 bonds (distance) P-C4' energy: -105.483 flat angles C4'-P-C4' energy: -91.955 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -132.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2598.057909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.057909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.057909 (E_RNA) where: Base-Base interactions energy: -1879.108 where: short stacking energy: -715.021 Base-Backbone interact. energy: -3.414 local terms energy: -715.535165 where: bonds (distance) C4'-P energy: -118.532 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -148.078 flat angles P-C4'-P energy: -110.677 tors. eta vs tors. theta energy: -203.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2448.940184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.940184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.940184 (E_RNA) where: Base-Base interactions energy: -1790.274 where: short stacking energy: -702.769 Base-Backbone interact. energy: 0.755 local terms energy: -659.421869 where: bonds (distance) C4'-P energy: -114.944 bonds (distance) P-C4' energy: -112.874 flat angles C4'-P-C4' energy: -142.288 flat angles P-C4'-P energy: -103.024 tors. eta vs tors. theta energy: -186.293 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: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2397.771337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.771337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.771337 (E_RNA) where: Base-Base interactions energy: -1716.965 where: short stacking energy: -681.784 Base-Backbone interact. energy: -2.086 local terms energy: -678.719505 where: bonds (distance) C4'-P energy: -120.305 bonds (distance) P-C4' energy: -113.528 flat angles C4'-P-C4' energy: -148.871 flat angles P-C4'-P energy: -92.656 tors. eta vs tors. theta energy: -203.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2361.743932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.743932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.743932 (E_RNA) where: Base-Base interactions energy: -1733.560 where: short stacking energy: -665.533 Base-Backbone interact. energy: -1.738 local terms energy: -626.445991 where: bonds (distance) C4'-P energy: -105.795 bonds (distance) P-C4' energy: -108.742 flat angles C4'-P-C4' energy: -126.743 flat angles P-C4'-P energy: -89.212 tors. eta vs tors. theta energy: -195.954 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: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2285.845505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.845505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.845505 (E_RNA) where: Base-Base interactions energy: -1665.802 where: short stacking energy: -649.182 Base-Backbone interact. energy: 1.451 local terms energy: -621.494733 where: bonds (distance) C4'-P energy: -106.094 bonds (distance) P-C4' energy: -120.826 flat angles C4'-P-C4' energy: -143.029 flat angles P-C4'-P energy: -82.583 tors. eta vs tors. theta energy: -168.963 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: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2263.046258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.046258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.046258 (E_RNA) where: Base-Base interactions energy: -1647.261 where: short stacking energy: -641.696 Base-Backbone interact. energy: 0.090 local terms energy: -615.875020 where: bonds (distance) C4'-P energy: -102.369 bonds (distance) P-C4' energy: -118.855 flat angles C4'-P-C4' energy: -125.220 flat angles P-C4'-P energy: -85.720 tors. eta vs tors. theta energy: -183.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2131.027589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.027589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.027589 (E_RNA) where: Base-Base interactions energy: -1520.024 where: short stacking energy: -585.040 Base-Backbone interact. energy: -1.723 local terms energy: -609.280372 where: bonds (distance) C4'-P energy: -104.825 bonds (distance) P-C4' energy: -116.900 flat angles C4'-P-C4' energy: -131.095 flat angles P-C4'-P energy: -87.321 tors. eta vs tors. theta energy: -169.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1979.493981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.493981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.493981 (E_RNA) where: Base-Base interactions energy: -1421.385 where: short stacking energy: -552.509 Base-Backbone interact. energy: -0.563 local terms energy: -557.545972 where: bonds (distance) C4'-P energy: -100.316 bonds (distance) P-C4' energy: -123.421 flat angles C4'-P-C4' energy: -105.088 flat angles P-C4'-P energy: -72.651 tors. eta vs tors. theta energy: -156.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1898.696027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.696027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.696027 (E_RNA) where: Base-Base interactions energy: -1370.106 where: short stacking energy: -521.743 Base-Backbone interact. energy: -1.784 local terms energy: -526.805379 where: bonds (distance) C4'-P energy: -99.565 bonds (distance) P-C4' energy: -92.627 flat angles C4'-P-C4' energy: -106.578 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -152.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1782.290916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.290916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.290916 (E_RNA) where: Base-Base interactions energy: -1259.321 where: short stacking energy: -531.274 Base-Backbone interact. energy: 2.601 local terms energy: -525.571392 where: bonds (distance) C4'-P energy: -86.775 bonds (distance) P-C4' energy: -93.366 flat angles C4'-P-C4' energy: -113.436 flat angles P-C4'-P energy: -81.780 tors. eta vs tors. theta energy: -150.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2578.643606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.643606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.643606 (E_RNA) where: Base-Base interactions energy: -1886.346 where: short stacking energy: -727.816 Base-Backbone interact. energy: 3.059 local terms energy: -695.356378 where: bonds (distance) C4'-P energy: -122.794 bonds (distance) P-C4' energy: -131.976 flat angles C4'-P-C4' energy: -148.088 flat angles P-C4'-P energy: -89.841 tors. eta vs tors. theta energy: -202.658 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: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2440.877997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.877997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.877997 (E_RNA) where: Base-Base interactions energy: -1744.135 where: short stacking energy: -707.473 Base-Backbone interact. energy: -4.046 local terms energy: -692.697259 where: bonds (distance) C4'-P energy: -120.709 bonds (distance) P-C4' energy: -121.771 flat angles C4'-P-C4' energy: -150.413 flat angles P-C4'-P energy: -102.166 tors. eta vs tors. theta energy: -197.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2404.569774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.569774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.569774 (E_RNA) where: Base-Base interactions energy: -1739.882 where: short stacking energy: -678.001 Base-Backbone interact. energy: 0.462 local terms energy: -665.150112 where: bonds (distance) C4'-P energy: -117.288 bonds (distance) P-C4' energy: -123.918 flat angles C4'-P-C4' energy: -142.941 flat angles P-C4'-P energy: -88.539 tors. eta vs tors. theta energy: -192.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2358.765326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.765326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.765326 (E_RNA) where: Base-Base interactions energy: -1719.470 where: short stacking energy: -659.694 Base-Backbone interact. energy: -2.245 local terms energy: -637.050093 where: bonds (distance) C4'-P energy: -115.040 bonds (distance) P-C4' energy: -112.631 flat angles C4'-P-C4' energy: -132.856 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -189.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2231.793610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.793610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.793610 (E_RNA) where: Base-Base interactions energy: -1600.826 where: short stacking energy: -612.031 Base-Backbone interact. energy: 0.082 local terms energy: -631.049880 where: bonds (distance) C4'-P energy: -104.511 bonds (distance) P-C4' energy: -116.672 flat angles C4'-P-C4' energy: -134.074 flat angles P-C4'-P energy: -95.279 tors. eta vs tors. theta energy: -180.513 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: 101 Temperature: 1.150000 Total energy: -2290.625149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.625149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.625149 (E_RNA) where: Base-Base interactions energy: -1632.948 where: short stacking energy: -649.961 Base-Backbone interact. energy: 2.071 local terms energy: -659.747538 where: bonds (distance) C4'-P energy: -107.284 bonds (distance) P-C4' energy: -129.078 flat angles C4'-P-C4' energy: -149.992 flat angles P-C4'-P energy: -87.350 tors. eta vs tors. theta energy: -186.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2136.545688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.545688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.545688 (E_RNA) where: Base-Base interactions energy: -1539.611 where: short stacking energy: -605.840 Base-Backbone interact. energy: -1.591 local terms energy: -595.343433 where: bonds (distance) C4'-P energy: -123.712 bonds (distance) P-C4' energy: -91.510 flat angles C4'-P-C4' energy: -126.814 flat angles P-C4'-P energy: -80.816 tors. eta vs tors. theta energy: -172.491 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: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -2033.756044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.756044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.756044 (E_RNA) where: Base-Base interactions energy: -1474.500 where: short stacking energy: -562.015 Base-Backbone interact. energy: 1.147 local terms energy: -560.403364 where: bonds (distance) C4'-P energy: -85.633 bonds (distance) P-C4' energy: -111.894 flat angles C4'-P-C4' energy: -122.731 flat angles P-C4'-P energy: -83.124 tors. eta vs tors. theta energy: -157.023 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: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1945.897502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.897502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.897502 (E_RNA) where: Base-Base interactions energy: -1399.231 where: short stacking energy: -537.426 Base-Backbone interact. energy: -3.033 local terms energy: -543.634023 where: bonds (distance) C4'-P energy: -94.686 bonds (distance) P-C4' energy: -93.213 flat angles C4'-P-C4' energy: -130.312 flat angles P-C4'-P energy: -67.003 tors. eta vs tors. theta energy: -158.421 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: 101 Temperature: 1.350000 Total energy: -1807.583427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.583427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.583427 (E_RNA) where: Base-Base interactions energy: -1288.962 where: short stacking energy: -523.197 Base-Backbone interact. energy: 2.939 local terms energy: -521.560376 where: bonds (distance) C4'-P energy: -87.698 bonds (distance) P-C4' energy: -90.036 flat angles C4'-P-C4' energy: -127.847 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: -138.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2588.770769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.770769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.770769 (E_RNA) where: Base-Base interactions energy: -1874.354 where: short stacking energy: -717.611 Base-Backbone interact. energy: -2.629 local terms energy: -711.787920 where: bonds (distance) C4'-P energy: -137.781 bonds (distance) P-C4' energy: -118.498 flat angles C4'-P-C4' energy: -142.952 flat angles P-C4'-P energy: -110.259 tors. eta vs tors. theta energy: -202.297 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: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2477.579608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.579608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.579608 (E_RNA) where: Base-Base interactions energy: -1784.455 where: short stacking energy: -709.684 Base-Backbone interact. energy: 1.371 local terms energy: -694.495977 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -120.690 flat angles C4'-P-C4' energy: -144.402 flat angles P-C4'-P energy: -102.932 tors. eta vs tors. theta energy: -209.821 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: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2403.533078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.533078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.533078 (E_RNA) where: Base-Base interactions energy: -1727.482 where: short stacking energy: -682.428 Base-Backbone interact. energy: -0.585 local terms energy: -675.465379 where: bonds (distance) C4'-P energy: -116.520 bonds (distance) P-C4' energy: -131.422 flat angles C4'-P-C4' energy: -143.035 flat angles P-C4'-P energy: -96.788 tors. eta vs tors. theta energy: -187.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2367.873971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.873971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.873971 (E_RNA) where: Base-Base interactions energy: -1729.748 where: short stacking energy: -667.231 Base-Backbone interact. energy: 4.481 local terms energy: -642.607099 where: bonds (distance) C4'-P energy: -119.011 bonds (distance) P-C4' energy: -114.354 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -82.436 tors. eta vs tors. theta energy: -196.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2318.145741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.145741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.145741 (E_RNA) where: Base-Base interactions energy: -1684.757 where: short stacking energy: -675.309 Base-Backbone interact. energy: 0.534 local terms energy: -633.922407 where: bonds (distance) C4'-P energy: -93.516 bonds (distance) P-C4' energy: -102.128 flat angles C4'-P-C4' energy: -139.704 flat angles P-C4'-P energy: -97.723 tors. eta vs tors. theta energy: -200.852 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: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2225.881761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.881761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.881761 (E_RNA) where: Base-Base interactions energy: -1618.071 where: short stacking energy: -637.593 Base-Backbone interact. energy: -3.770 local terms energy: -604.041217 where: bonds (distance) C4'-P energy: -95.812 bonds (distance) P-C4' energy: -110.228 flat angles C4'-P-C4' energy: -145.923 flat angles P-C4'-P energy: -78.392 tors. eta vs tors. theta energy: -173.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2177.360644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.360644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.360644 (E_RNA) where: Base-Base interactions energy: -1558.716 where: short stacking energy: -632.268 Base-Backbone interact. energy: -1.752 local terms energy: -616.892691 where: bonds (distance) C4'-P energy: -105.745 bonds (distance) P-C4' energy: -119.189 flat angles C4'-P-C4' energy: -123.954 flat angles P-C4'-P energy: -81.399 tors. eta vs tors. theta energy: -186.606 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: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -2031.136817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.136817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.136817 (E_RNA) where: Base-Base interactions energy: -1460.923 where: short stacking energy: -551.448 Base-Backbone interact. energy: 2.319 local terms energy: -572.532882 where: bonds (distance) C4'-P energy: -99.483 bonds (distance) P-C4' energy: -91.086 flat angles C4'-P-C4' energy: -130.267 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -157.322 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1894.318961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.318961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.318961 (E_RNA) where: Base-Base interactions energy: -1372.591 where: short stacking energy: -538.701 Base-Backbone interact. energy: 4.076 local terms energy: -525.803050 where: bonds (distance) C4'-P energy: -88.138 bonds (distance) P-C4' energy: -98.693 flat angles C4'-P-C4' energy: -130.492 flat angles P-C4'-P energy: -65.620 tors. eta vs tors. theta energy: -142.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1792.436018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.436018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.436018 (E_RNA) where: Base-Base interactions energy: -1273.088 where: short stacking energy: -510.913 Base-Backbone interact. energy: 1.495 local terms energy: -520.842452 where: bonds (distance) C4'-P energy: -91.434 bonds (distance) P-C4' energy: -104.908 flat angles C4'-P-C4' energy: -110.064 flat angles P-C4'-P energy: -80.712 tors. eta vs tors. theta energy: -133.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2608.225324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.225324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.225324 (E_RNA) where: Base-Base interactions energy: -1894.270 where: short stacking energy: -720.625 Base-Backbone interact. energy: -1.642 local terms energy: -712.313153 where: bonds (distance) C4'-P energy: -120.828 bonds (distance) P-C4' energy: -142.758 flat angles C4'-P-C4' energy: -147.800 flat angles P-C4'-P energy: -101.247 tors. eta vs tors. theta energy: -199.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2514.322976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.322976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.322976 (E_RNA) where: Base-Base interactions energy: -1793.843 where: short stacking energy: -710.790 Base-Backbone interact. energy: 0.435 local terms energy: -720.915270 where: bonds (distance) C4'-P energy: -120.008 bonds (distance) P-C4' energy: -130.773 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -108.281 tors. eta vs tors. theta energy: -209.462 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: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2396.758658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.758658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.758658 (E_RNA) where: Base-Base interactions energy: -1741.546 where: short stacking energy: -678.305 Base-Backbone interact. energy: 0.258 local terms energy: -655.470490 where: bonds (distance) C4'-P energy: -122.869 bonds (distance) P-C4' energy: -111.230 flat angles C4'-P-C4' energy: -141.762 flat angles P-C4'-P energy: -88.529 tors. eta vs tors. theta energy: -191.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2355.851730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.851730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.851730 (E_RNA) where: Base-Base interactions energy: -1715.726 where: short stacking energy: -691.037 Base-Backbone interact. energy: -0.206 local terms energy: -639.918883 where: bonds (distance) C4'-P energy: -101.415 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -141.185 flat angles P-C4'-P energy: -89.036 tors. eta vs tors. theta energy: -206.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2376.451622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.451622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.451622 (E_RNA) where: Base-Base interactions energy: -1717.919 where: short stacking energy: -673.578 Base-Backbone interact. energy: -2.693 local terms energy: -655.839773 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -120.386 flat angles C4'-P-C4' energy: -146.699 flat angles P-C4'-P energy: -81.880 tors. eta vs tors. theta energy: -197.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2227.931585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.931585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.931585 (E_RNA) where: Base-Base interactions energy: -1612.355 where: short stacking energy: -632.290 Base-Backbone interact. energy: -0.160 local terms energy: -615.416635 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -102.703 flat angles C4'-P-C4' energy: -130.807 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: -191.278 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: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2159.438477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.438477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.438477 (E_RNA) where: Base-Base interactions energy: -1528.613 where: short stacking energy: -586.101 Base-Backbone interact. energy: -0.349 local terms energy: -630.476321 where: bonds (distance) C4'-P energy: -101.463 bonds (distance) P-C4' energy: -120.173 flat angles C4'-P-C4' energy: -135.059 flat angles P-C4'-P energy: -100.449 tors. eta vs tors. theta energy: -173.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -2011.995884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.995884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.995884 (E_RNA) where: Base-Base interactions energy: -1445.270 where: short stacking energy: -558.304 Base-Backbone interact. energy: -0.935 local terms energy: -565.790645 where: bonds (distance) C4'-P energy: -113.925 bonds (distance) P-C4' energy: -98.631 flat angles C4'-P-C4' energy: -127.505 flat angles P-C4'-P energy: -73.798 tors. eta vs tors. theta energy: -151.932 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: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1933.331204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.331204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.331204 (E_RNA) where: Base-Base interactions energy: -1394.212 where: short stacking energy: -529.095 Base-Backbone interact. energy: -1.929 local terms energy: -537.189914 where: bonds (distance) C4'-P energy: -116.847 bonds (distance) P-C4' energy: -93.785 flat angles C4'-P-C4' energy: -112.293 flat angles P-C4'-P energy: -80.092 tors. eta vs tors. theta energy: -134.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1737.680679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.680679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.680679 (E_RNA) where: Base-Base interactions energy: -1240.573 where: short stacking energy: -502.428 Base-Backbone interact. energy: 2.449 local terms energy: -499.556056 where: bonds (distance) C4'-P energy: -91.315 bonds (distance) P-C4' energy: -86.468 flat angles C4'-P-C4' energy: -113.413 flat angles P-C4'-P energy: -76.310 tors. eta vs tors. theta energy: -132.049 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: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2593.738493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.738493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.738493 (E_RNA) where: Base-Base interactions energy: -1880.329 where: short stacking energy: -709.049 Base-Backbone interact. energy: -3.101 local terms energy: -710.308566 where: bonds (distance) C4'-P energy: -117.364 bonds (distance) P-C4' energy: -122.167 flat angles C4'-P-C4' energy: -157.220 flat angles P-C4'-P energy: -111.002 tors. eta vs tors. theta energy: -202.556 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: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2526.485459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.485459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.485459 (E_RNA) where: Base-Base interactions energy: -1831.942 where: short stacking energy: -714.540 Base-Backbone interact. energy: -1.154 local terms energy: -693.389445 where: bonds (distance) C4'-P energy: -124.860 bonds (distance) P-C4' energy: -125.326 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -99.656 tors. eta vs tors. theta energy: -210.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2445.129717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.129717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.129717 (E_RNA) where: Base-Base interactions energy: -1777.554 where: short stacking energy: -704.017 Base-Backbone interact. energy: -1.654 local terms energy: -665.921306 where: bonds (distance) C4'-P energy: -112.976 bonds (distance) P-C4' energy: -125.482 flat angles C4'-P-C4' energy: -147.795 flat angles P-C4'-P energy: -88.299 tors. eta vs tors. theta energy: -191.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2390.086980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.086980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.086980 (E_RNA) where: Base-Base interactions energy: -1730.577 where: short stacking energy: -680.524 Base-Backbone interact. energy: -1.970 local terms energy: -657.539842 where: bonds (distance) C4'-P energy: -112.241 bonds (distance) P-C4' energy: -113.498 flat angles C4'-P-C4' energy: -144.760 flat angles P-C4'-P energy: -89.821 tors. eta vs tors. theta energy: -197.220 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: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2323.076538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.076538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.076538 (E_RNA) where: Base-Base interactions energy: -1707.054 where: short stacking energy: -647.598 Base-Backbone interact. energy: -1.694 local terms energy: -614.328598 where: bonds (distance) C4'-P energy: -109.071 bonds (distance) P-C4' energy: -111.319 flat angles C4'-P-C4' energy: -134.735 flat angles P-C4'-P energy: -78.215 tors. eta vs tors. theta energy: -180.988 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: 104 Temperature: 1.150000 Total energy: -2218.050738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.050738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.050738 (E_RNA) where: Base-Base interactions energy: -1612.046 where: short stacking energy: -624.256 Base-Backbone interact. energy: 0.191 local terms energy: -606.195632 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -103.501 flat angles C4'-P-C4' energy: -132.462 flat angles P-C4'-P energy: -87.893 tors. eta vs tors. theta energy: -176.271 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: 104 Temperature: 1.200000 Total energy: -2204.698815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.698815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.698815 (E_RNA) where: Base-Base interactions energy: -1592.922 where: short stacking energy: -616.150 Base-Backbone interact. energy: 3.047 local terms energy: -614.824312 where: bonds (distance) C4'-P energy: -105.019 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -130.081 flat angles P-C4'-P energy: -80.994 tors. eta vs tors. theta energy: -177.227 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: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -2030.270725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.270725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.270725 (E_RNA) where: Base-Base interactions energy: -1478.136 where: short stacking energy: -571.098 Base-Backbone interact. energy: 1.542 local terms energy: -553.676952 where: bonds (distance) C4'-P energy: -120.554 bonds (distance) P-C4' energy: -95.708 flat angles C4'-P-C4' energy: -118.961 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -150.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1882.364382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.364382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.364382 (E_RNA) where: Base-Base interactions energy: -1388.541 where: short stacking energy: -547.029 Base-Backbone interact. energy: 2.851 local terms energy: -496.674915 where: bonds (distance) C4'-P energy: -91.587 bonds (distance) P-C4' energy: -91.216 flat angles C4'-P-C4' energy: -116.628 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -141.048 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: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1691.868754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.868754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.868754 (E_RNA) where: Base-Base interactions energy: -1218.807 where: short stacking energy: -480.663 Base-Backbone interact. energy: -2.125 local terms energy: -470.936466 where: bonds (distance) C4'-P energy: -84.538 bonds (distance) P-C4' energy: -94.017 flat angles C4'-P-C4' energy: -101.594 flat angles P-C4'-P energy: -70.039 tors. eta vs tors. theta energy: -120.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2616.018027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.018027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.018027 (E_RNA) where: Base-Base interactions energy: -1904.411 where: short stacking energy: -736.936 Base-Backbone interact. energy: -2.029 local terms energy: -709.577510 where: bonds (distance) C4'-P energy: -128.578 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -143.725 flat angles P-C4'-P energy: -103.177 tors. eta vs tors. theta energy: -207.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2557.909914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.909914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.909914 (E_RNA) where: Base-Base interactions energy: -1848.325 where: short stacking energy: -732.439 Base-Backbone interact. energy: -1.254 local terms energy: -708.331110 where: bonds (distance) C4'-P energy: -133.770 bonds (distance) P-C4' energy: -114.144 flat angles C4'-P-C4' energy: -145.408 flat angles P-C4'-P energy: -96.770 tors. eta vs tors. theta energy: -218.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2433.135548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.135548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.135548 (E_RNA) where: Base-Base interactions energy: -1759.904 where: short stacking energy: -674.493 Base-Backbone interact. energy: -3.232 local terms energy: -669.999211 where: bonds (distance) C4'-P energy: -117.693 bonds (distance) P-C4' energy: -111.942 flat angles C4'-P-C4' energy: -149.577 flat angles P-C4'-P energy: -96.421 tors. eta vs tors. theta energy: -194.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2352.200810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.200810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.200810 (E_RNA) where: Base-Base interactions energy: -1702.954 where: short stacking energy: -691.363 Base-Backbone interact. energy: 0.197 local terms energy: -649.444030 where: bonds (distance) C4'-P energy: -101.182 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -141.964 flat angles P-C4'-P energy: -89.968 tors. eta vs tors. theta energy: -204.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2307.577158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.577158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.577158 (E_RNA) where: Base-Base interactions energy: -1663.482 where: short stacking energy: -629.704 Base-Backbone interact. energy: -2.283 local terms energy: -641.811726 where: bonds (distance) C4'-P energy: -95.312 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -98.184 tors. eta vs tors. theta energy: -181.576 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: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2251.018427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.018427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.018427 (E_RNA) where: Base-Base interactions energy: -1624.003 where: short stacking energy: -651.691 Base-Backbone interact. energy: -1.810 local terms energy: -625.205406 where: bonds (distance) C4'-P energy: -104.066 bonds (distance) P-C4' energy: -103.894 flat angles C4'-P-C4' energy: -132.511 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -194.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2158.061839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.061839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.061839 (E_RNA) where: Base-Base interactions energy: -1551.772 where: short stacking energy: -600.576 Base-Backbone interact. energy: 1.218 local terms energy: -607.507874 where: bonds (distance) C4'-P energy: -93.238 bonds (distance) P-C4' energy: -112.620 flat angles C4'-P-C4' energy: -127.734 flat angles P-C4'-P energy: -92.877 tors. eta vs tors. theta energy: -181.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -2047.184568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.184568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.184568 (E_RNA) where: Base-Base interactions energy: -1477.019 where: short stacking energy: -574.203 Base-Backbone interact. energy: -1.657 local terms energy: -568.509305 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -94.767 flat angles C4'-P-C4' energy: -126.577 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -168.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1895.303565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.303565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.303565 (E_RNA) where: Base-Base interactions energy: -1373.701 where: short stacking energy: -550.039 Base-Backbone interact. energy: 0.742 local terms energy: -522.344968 where: bonds (distance) C4'-P energy: -97.543 bonds (distance) P-C4' energy: -89.053 flat angles C4'-P-C4' energy: -116.908 flat angles P-C4'-P energy: -71.984 tors. eta vs tors. theta energy: -146.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1795.907934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.907934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.907934 (E_RNA) where: Base-Base interactions energy: -1307.728 where: short stacking energy: -520.307 Base-Backbone interact. energy: 8.420 local terms energy: -496.600609 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -90.448 flat angles C4'-P-C4' energy: -116.271 flat angles P-C4'-P energy: -63.093 tors. eta vs tors. theta energy: -142.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2580.547435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.547435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.547435 (E_RNA) where: Base-Base interactions energy: -1866.081 where: short stacking energy: -723.768 Base-Backbone interact. energy: -2.090 local terms energy: -712.377044 where: bonds (distance) C4'-P energy: -117.743 bonds (distance) P-C4' energy: -130.821 flat angles C4'-P-C4' energy: -150.813 flat angles P-C4'-P energy: -105.195 tors. eta vs tors. theta energy: -207.805 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: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2567.462819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.462819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.462819 (E_RNA) where: Base-Base interactions energy: -1868.137 where: short stacking energy: -717.872 Base-Backbone interact. energy: -1.945 local terms energy: -697.380208 where: bonds (distance) C4'-P energy: -125.539 bonds (distance) P-C4' energy: -128.816 flat angles C4'-P-C4' energy: -147.176 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -211.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2429.322531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.322531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.322531 (E_RNA) where: Base-Base interactions energy: -1768.529 where: short stacking energy: -686.889 Base-Backbone interact. energy: -0.029 local terms energy: -660.763865 where: bonds (distance) C4'-P energy: -112.164 bonds (distance) P-C4' energy: -119.450 flat angles C4'-P-C4' energy: -143.229 flat angles P-C4'-P energy: -94.947 tors. eta vs tors. theta energy: -190.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2353.479045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.479045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.479045 (E_RNA) where: Base-Base interactions energy: -1709.220 where: short stacking energy: -672.274 Base-Backbone interact. energy: -2.072 local terms energy: -642.187025 where: bonds (distance) C4'-P energy: -110.727 bonds (distance) P-C4' energy: -108.986 flat angles C4'-P-C4' energy: -142.710 flat angles P-C4'-P energy: -83.901 tors. eta vs tors. theta energy: -195.862 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: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2334.126014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.126014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.126014 (E_RNA) where: Base-Base interactions energy: -1684.481 where: short stacking energy: -644.695 Base-Backbone interact. energy: 4.517 local terms energy: -654.161719 where: bonds (distance) C4'-P energy: -117.153 bonds (distance) P-C4' energy: -119.113 flat angles C4'-P-C4' energy: -139.618 flat angles P-C4'-P energy: -91.781 tors. eta vs tors. theta energy: -186.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2207.759557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.759557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.759557 (E_RNA) where: Base-Base interactions energy: -1571.120 where: short stacking energy: -615.281 Base-Backbone interact. energy: 3.085 local terms energy: -639.724322 where: bonds (distance) C4'-P energy: -107.717 bonds (distance) P-C4' energy: -116.487 flat angles C4'-P-C4' energy: -129.530 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -193.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -2195.715335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.715335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.715335 (E_RNA) where: Base-Base interactions energy: -1582.848 where: short stacking energy: -607.524 Base-Backbone interact. energy: -1.132 local terms energy: -611.734692 where: bonds (distance) C4'-P energy: -96.454 bonds (distance) P-C4' energy: -106.732 flat angles C4'-P-C4' energy: -129.789 flat angles P-C4'-P energy: -102.386 tors. eta vs tors. theta energy: -176.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -2034.544699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.544699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.544699 (E_RNA) where: Base-Base interactions energy: -1455.757 where: short stacking energy: -569.376 Base-Backbone interact. energy: -0.667 local terms energy: -578.120504 where: bonds (distance) C4'-P energy: -94.930 bonds (distance) P-C4' energy: -122.902 flat angles C4'-P-C4' energy: -125.290 flat angles P-C4'-P energy: -75.554 tors. eta vs tors. theta energy: -159.445 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: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1884.249048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.249048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.249048 (E_RNA) where: Base-Base interactions energy: -1340.335 where: short stacking energy: -539.286 Base-Backbone interact. energy: 1.550 local terms energy: -545.464583 where: bonds (distance) C4'-P energy: -105.045 bonds (distance) P-C4' energy: -108.313 flat angles C4'-P-C4' energy: -115.650 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -141.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1787.063900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.063900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.063900 (E_RNA) where: Base-Base interactions energy: -1271.957 where: short stacking energy: -482.680 Base-Backbone interact. energy: 1.784 local terms energy: -516.891305 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -103.215 flat angles C4'-P-C4' energy: -119.477 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: -129.346 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: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2588.199424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.199424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.199424 (E_RNA) where: Base-Base interactions energy: -1897.027 where: short stacking energy: -734.932 Base-Backbone interact. energy: -1.645 local terms energy: -689.527894 where: bonds (distance) C4'-P energy: -104.686 bonds (distance) P-C4' energy: -132.934 flat angles C4'-P-C4' energy: -145.433 flat angles P-C4'-P energy: -102.585 tors. eta vs tors. theta energy: -203.890 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: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2547.371401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.371401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.371401 (E_RNA) where: Base-Base interactions energy: -1834.131 where: short stacking energy: -726.426 Base-Backbone interact. energy: -0.407 local terms energy: -712.833656 where: bonds (distance) C4'-P energy: -130.862 bonds (distance) P-C4' energy: -123.334 flat angles C4'-P-C4' energy: -153.549 flat angles P-C4'-P energy: -87.558 tors. eta vs tors. theta energy: -217.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2416.401448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.401448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.401448 (E_RNA) where: Base-Base interactions energy: -1746.956 where: short stacking energy: -680.100 Base-Backbone interact. energy: 0.055 local terms energy: -669.500234 where: bonds (distance) C4'-P energy: -105.651 bonds (distance) P-C4' energy: -120.269 flat angles C4'-P-C4' energy: -147.970 flat angles P-C4'-P energy: -99.493 tors. eta vs tors. theta energy: -196.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2375.260333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.260333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.260333 (E_RNA) where: Base-Base interactions energy: -1698.953 where: short stacking energy: -679.017 Base-Backbone interact. energy: -3.623 local terms energy: -672.683907 where: bonds (distance) C4'-P energy: -113.839 bonds (distance) P-C4' energy: -118.565 flat angles C4'-P-C4' energy: -141.012 flat angles P-C4'-P energy: -91.368 tors. eta vs tors. theta energy: -207.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2315.849720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.849720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.849720 (E_RNA) where: Base-Base interactions energy: -1684.229 where: short stacking energy: -662.245 Base-Backbone interact. energy: -0.744 local terms energy: -630.876526 where: bonds (distance) C4'-P energy: -115.452 bonds (distance) P-C4' energy: -108.000 flat angles C4'-P-C4' energy: -132.184 flat angles P-C4'-P energy: -91.655 tors. eta vs tors. theta energy: -183.585 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: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2277.530645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.530645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.530645 (E_RNA) where: Base-Base interactions energy: -1638.373 where: short stacking energy: -629.243 Base-Backbone interact. energy: -0.768 local terms energy: -638.390469 where: bonds (distance) C4'-P energy: -111.223 bonds (distance) P-C4' energy: -117.457 flat angles C4'-P-C4' energy: -125.097 flat angles P-C4'-P energy: -97.390 tors. eta vs tors. theta energy: -187.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2219.534557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.534557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.534557 (E_RNA) where: Base-Base interactions energy: -1630.161 where: short stacking energy: -641.626 Base-Backbone interact. energy: -1.590 local terms energy: -587.783012 where: bonds (distance) C4'-P energy: -109.502 bonds (distance) P-C4' energy: -102.136 flat angles C4'-P-C4' energy: -113.818 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: -186.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -2037.518759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.518759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.518759 (E_RNA) where: Base-Base interactions energy: -1439.643 where: short stacking energy: -560.296 Base-Backbone interact. energy: -0.376 local terms energy: -597.499797 where: bonds (distance) C4'-P energy: -101.305 bonds (distance) P-C4' energy: -112.602 flat angles C4'-P-C4' energy: -125.551 flat angles P-C4'-P energy: -89.994 tors. eta vs tors. theta energy: -168.047 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: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1878.067548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.067548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.067548 (E_RNA) where: Base-Base interactions energy: -1315.425 where: short stacking energy: -530.371 Base-Backbone interact. energy: -1.091 local terms energy: -561.551745 where: bonds (distance) C4'-P energy: -114.079 bonds (distance) P-C4' energy: -91.418 flat angles C4'-P-C4' energy: -131.581 flat angles P-C4'-P energy: -81.068 tors. eta vs tors. theta energy: -143.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1643.567486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.567486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.567486 (E_RNA) where: Base-Base interactions energy: -1170.354 where: short stacking energy: -459.875 Base-Backbone interact. energy: 3.316 local terms energy: -476.530404 where: bonds (distance) C4'-P energy: -94.770 bonds (distance) P-C4' energy: -81.515 flat angles C4'-P-C4' energy: -119.805 flat angles P-C4'-P energy: -74.593 tors. eta vs tors. theta energy: -105.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2582.279088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.279088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.279088 (E_RNA) where: Base-Base interactions energy: -1890.360 where: short stacking energy: -710.531 Base-Backbone interact. energy: -3.284 local terms energy: -688.634914 where: bonds (distance) C4'-P energy: -123.180 bonds (distance) P-C4' energy: -119.614 flat angles C4'-P-C4' energy: -140.725 flat angles P-C4'-P energy: -97.322 tors. eta vs tors. theta energy: -207.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2520.678826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.678826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.678826 (E_RNA) where: Base-Base interactions energy: -1823.123 where: short stacking energy: -708.750 Base-Backbone interact. energy: -2.388 local terms energy: -695.167352 where: bonds (distance) C4'-P energy: -121.155 bonds (distance) P-C4' energy: -131.174 flat angles C4'-P-C4' energy: -148.022 flat angles P-C4'-P energy: -84.740 tors. eta vs tors. theta energy: -210.077 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: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2421.541291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.541291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.541291 (E_RNA) where: Base-Base interactions energy: -1760.826 where: short stacking energy: -688.357 Base-Backbone interact. energy: -2.235 local terms energy: -658.479848 where: bonds (distance) C4'-P energy: -97.083 bonds (distance) P-C4' energy: -119.551 flat angles C4'-P-C4' energy: -145.612 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -196.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2368.538360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.538360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.538360 (E_RNA) where: Base-Base interactions energy: -1695.115 where: short stacking energy: -667.795 Base-Backbone interact. energy: -1.620 local terms energy: -671.803245 where: bonds (distance) C4'-P energy: -103.738 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -138.145 flat angles P-C4'-P energy: -96.955 tors. eta vs tors. theta energy: -201.971 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: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2292.944162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.944162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.944162 (E_RNA) where: Base-Base interactions energy: -1642.531 where: short stacking energy: -633.947 Base-Backbone interact. energy: -2.748 local terms energy: -647.665297 where: bonds (distance) C4'-P energy: -104.790 bonds (distance) P-C4' energy: -118.233 flat angles C4'-P-C4' energy: -138.121 flat angles P-C4'-P energy: -98.097 tors. eta vs tors. theta energy: -188.424 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: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2214.803517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.803517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.803517 (E_RNA) where: Base-Base interactions energy: -1588.848 where: short stacking energy: -645.523 Base-Backbone interact. energy: -0.113 local terms energy: -625.841960 where: bonds (distance) C4'-P energy: -117.366 bonds (distance) P-C4' energy: -106.626 flat angles C4'-P-C4' energy: -130.697 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -178.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2233.973980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.973980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.973980 (E_RNA) where: Base-Base interactions energy: -1621.511 where: short stacking energy: -641.375 Base-Backbone interact. energy: -0.986 local terms energy: -611.477270 where: bonds (distance) C4'-P energy: -100.844 bonds (distance) P-C4' energy: -111.515 flat angles C4'-P-C4' energy: -126.762 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -194.884 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: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -2060.502995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.502995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.502995 (E_RNA) where: Base-Base interactions energy: -1502.076 where: short stacking energy: -579.432 Base-Backbone interact. energy: -0.030 local terms energy: -558.397402 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -99.957 flat angles C4'-P-C4' energy: -125.995 flat angles P-C4'-P energy: -76.501 tors. eta vs tors. theta energy: -163.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1920.317178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.317178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.317178 (E_RNA) where: Base-Base interactions energy: -1386.733 where: short stacking energy: -538.933 Base-Backbone interact. energy: -3.715 local terms energy: -529.869457 where: bonds (distance) C4'-P energy: -93.953 bonds (distance) P-C4' energy: -87.891 flat angles C4'-P-C4' energy: -121.153 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -159.734 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: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1702.573009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.573009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.573009 (E_RNA) where: Base-Base interactions energy: -1204.174 where: short stacking energy: -462.659 Base-Backbone interact. energy: -0.686 local terms energy: -497.712133 where: bonds (distance) C4'-P energy: -90.161 bonds (distance) P-C4' energy: -99.584 flat angles C4'-P-C4' energy: -109.997 flat angles P-C4'-P energy: -71.175 tors. eta vs tors. theta energy: -126.796 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: 109 Temperature: 0.900000 Total energy: -2565.644487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.644487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.644487 (E_RNA) where: Base-Base interactions energy: -1859.863 where: short stacking energy: -745.816 Base-Backbone interact. energy: -3.261 local terms energy: -702.520483 where: bonds (distance) C4'-P energy: -116.185 bonds (distance) P-C4' energy: -123.007 flat angles C4'-P-C4' energy: -148.472 flat angles P-C4'-P energy: -108.312 tors. eta vs tors. theta energy: -206.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2529.690834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.690834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.690834 (E_RNA) where: Base-Base interactions energy: -1816.578 where: short stacking energy: -714.194 Base-Backbone interact. energy: -2.743 local terms energy: -710.369890 where: bonds (distance) C4'-P energy: -116.359 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -149.590 flat angles P-C4'-P energy: -107.843 tors. eta vs tors. theta energy: -205.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2432.809475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.809475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.809475 (E_RNA) where: Base-Base interactions energy: -1765.515 where: short stacking energy: -685.232 Base-Backbone interact. energy: -0.165 local terms energy: -667.129678 where: bonds (distance) C4'-P energy: -117.576 bonds (distance) P-C4' energy: -124.680 flat angles C4'-P-C4' energy: -140.939 flat angles P-C4'-P energy: -94.324 tors. eta vs tors. theta energy: -189.611 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: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2371.148677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.148677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.148677 (E_RNA) where: Base-Base interactions energy: -1733.859 where: short stacking energy: -692.621 Base-Backbone interact. energy: 5.296 local terms energy: -642.585352 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -126.522 flat angles C4'-P-C4' energy: -134.561 flat angles P-C4'-P energy: -92.719 tors. eta vs tors. theta energy: -193.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2313.566551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.566551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.566551 (E_RNA) where: Base-Base interactions energy: -1676.327 where: short stacking energy: -657.000 Base-Backbone interact. energy: -3.897 local terms energy: -633.342759 where: bonds (distance) C4'-P energy: -101.387 bonds (distance) P-C4' energy: -106.533 flat angles C4'-P-C4' energy: -137.387 flat angles P-C4'-P energy: -99.215 tors. eta vs tors. theta energy: -188.822 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2268.907305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.907305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.907305 (E_RNA) where: Base-Base interactions energy: -1634.426 where: short stacking energy: -653.252 Base-Backbone interact. energy: 1.195 local terms energy: -635.676609 where: bonds (distance) C4'-P energy: -113.409 bonds (distance) P-C4' energy: -109.940 flat angles C4'-P-C4' energy: -136.331 flat angles P-C4'-P energy: -85.703 tors. eta vs tors. theta energy: -190.294 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: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -2118.606577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.606577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.606577 (E_RNA) where: Base-Base interactions energy: -1549.761 where: short stacking energy: -581.965 Base-Backbone interact. energy: 0.909 local terms energy: -569.754738 where: bonds (distance) C4'-P energy: -96.418 bonds (distance) P-C4' energy: -100.292 flat angles C4'-P-C4' energy: -118.062 flat angles P-C4'-P energy: -82.361 tors. eta vs tors. theta energy: -172.623 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -2077.657529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.657529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.657529 (E_RNA) where: Base-Base interactions energy: -1466.558 where: short stacking energy: -578.177 Base-Backbone interact. energy: -1.129 local terms energy: -609.970313 where: bonds (distance) C4'-P energy: -102.861 bonds (distance) P-C4' energy: -107.350 flat angles C4'-P-C4' energy: -136.088 flat angles P-C4'-P energy: -91.225 tors. eta vs tors. theta energy: -172.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1907.413920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.413920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.413920 (E_RNA) where: Base-Base interactions energy: -1382.713 where: short stacking energy: -541.749 Base-Backbone interact. energy: -0.298 local terms energy: -524.402525 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -112.258 flat angles C4'-P-C4' energy: -85.819 flat angles P-C4'-P energy: -70.286 tors. eta vs tors. theta energy: -154.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1746.624215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.624215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.624215 (E_RNA) where: Base-Base interactions energy: -1239.274 where: short stacking energy: -487.090 Base-Backbone interact. energy: -0.644 local terms energy: -506.706795 where: bonds (distance) C4'-P energy: -100.067 bonds (distance) P-C4' energy: -69.146 flat angles C4'-P-C4' energy: -126.967 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -134.941 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: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2550.608995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.608995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.608995 (E_RNA) where: Base-Base interactions energy: -1851.731 where: short stacking energy: -724.854 Base-Backbone interact. energy: -2.386 local terms energy: -696.491202 where: bonds (distance) C4'-P energy: -108.886 bonds (distance) P-C4' energy: -136.261 flat angles C4'-P-C4' energy: -141.537 flat angles P-C4'-P energy: -100.037 tors. eta vs tors. theta energy: -209.771 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: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2554.119844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.119844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.119844 (E_RNA) where: Base-Base interactions energy: -1864.727 where: short stacking energy: -721.675 Base-Backbone interact. energy: -2.783 local terms energy: -686.610530 where: bonds (distance) C4'-P energy: -122.615 bonds (distance) P-C4' energy: -129.930 flat angles C4'-P-C4' energy: -146.515 flat angles P-C4'-P energy: -88.970 tors. eta vs tors. theta energy: -198.580 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: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2409.965395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.965395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.965395 (E_RNA) where: Base-Base interactions energy: -1760.896 where: short stacking energy: -681.196 Base-Backbone interact. energy: 0.505 local terms energy: -649.574930 where: bonds (distance) C4'-P energy: -107.418 bonds (distance) P-C4' energy: -130.626 flat angles C4'-P-C4' energy: -140.115 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -186.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2339.587984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.587984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.587984 (E_RNA) where: Base-Base interactions energy: -1683.807 where: short stacking energy: -657.837 Base-Backbone interact. energy: -1.313 local terms energy: -654.468060 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -113.249 flat angles C4'-P-C4' energy: -133.076 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -191.859 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: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2309.407986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.407986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.407986 (E_RNA) where: Base-Base interactions energy: -1655.454 where: short stacking energy: -662.452 Base-Backbone interact. energy: 2.573 local terms energy: -656.527061 where: bonds (distance) C4'-P energy: -110.733 bonds (distance) P-C4' energy: -120.928 flat angles C4'-P-C4' energy: -142.753 flat angles P-C4'-P energy: -88.441 tors. eta vs tors. theta energy: -193.671 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: 110 Temperature: 1.150000 Total energy: -2279.783727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.783727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.783727 (E_RNA) where: Base-Base interactions energy: -1664.885 where: short stacking energy: -631.968 Base-Backbone interact. energy: 1.605 local terms energy: -616.503025 where: bonds (distance) C4'-P energy: -100.812 bonds (distance) P-C4' energy: -111.136 flat angles C4'-P-C4' energy: -136.599 flat angles P-C4'-P energy: -90.035 tors. eta vs tors. theta energy: -177.921 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: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2138.921572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.921572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.921572 (E_RNA) where: Base-Base interactions energy: -1549.447 where: short stacking energy: -598.908 Base-Backbone interact. energy: -2.970 local terms energy: -586.504588 where: bonds (distance) C4'-P energy: -88.021 bonds (distance) P-C4' energy: -108.091 flat angles C4'-P-C4' energy: -128.088 flat angles P-C4'-P energy: -87.675 tors. eta vs tors. theta energy: -174.630 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -2095.551864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.551864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.551864 (E_RNA) where: Base-Base interactions energy: -1501.506 where: short stacking energy: -595.530 Base-Backbone interact. energy: 1.913 local terms energy: -595.958031 where: bonds (distance) C4'-P energy: -92.275 bonds (distance) P-C4' energy: -124.097 flat angles C4'-P-C4' energy: -121.108 flat angles P-C4'-P energy: -84.628 tors. eta vs tors. theta energy: -173.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1896.674355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.674355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.674355 (E_RNA) where: Base-Base interactions energy: -1368.537 where: short stacking energy: -542.067 Base-Backbone interact. energy: -1.098 local terms energy: -527.039610 where: bonds (distance) C4'-P energy: -103.504 bonds (distance) P-C4' energy: -103.190 flat angles C4'-P-C4' energy: -107.813 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -147.955 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: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1695.345567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.345567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.345567 (E_RNA) where: Base-Base interactions energy: -1202.621 where: short stacking energy: -467.040 Base-Backbone interact. energy: -1.148 local terms energy: -491.576830 where: bonds (distance) C4'-P energy: -90.204 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -105.227 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: -115.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2574.395772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.395772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.395772 (E_RNA) where: Base-Base interactions energy: -1859.208 where: short stacking energy: -733.677 Base-Backbone interact. energy: 1.267 local terms energy: -716.454821 where: bonds (distance) C4'-P energy: -137.304 bonds (distance) P-C4' energy: -121.795 flat angles C4'-P-C4' energy: -145.188 flat angles P-C4'-P energy: -101.292 tors. eta vs tors. theta energy: -210.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2562.571076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.571076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.571076 (E_RNA) where: Base-Base interactions energy: -1879.466 where: short stacking energy: -716.656 Base-Backbone interact. energy: -1.424 local terms energy: -681.680700 where: bonds (distance) C4'-P energy: -115.708 bonds (distance) P-C4' energy: -121.856 flat angles C4'-P-C4' energy: -143.220 flat angles P-C4'-P energy: -98.768 tors. eta vs tors. theta energy: -202.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2421.232739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.232739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.232739 (E_RNA) where: Base-Base interactions energy: -1759.465 where: short stacking energy: -678.040 Base-Backbone interact. energy: 1.768 local terms energy: -663.535307 where: bonds (distance) C4'-P energy: -121.274 bonds (distance) P-C4' energy: -116.487 flat angles C4'-P-C4' energy: -140.182 flat angles P-C4'-P energy: -96.205 tors. eta vs tors. theta energy: -189.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2404.284638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.284638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.284638 (E_RNA) where: Base-Base interactions energy: -1738.276 where: short stacking energy: -680.503 Base-Backbone interact. energy: -0.989 local terms energy: -665.018968 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -118.266 flat angles C4'-P-C4' energy: -142.282 flat angles P-C4'-P energy: -93.271 tors. eta vs tors. theta energy: -206.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2304.282729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.282729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.282729 (E_RNA) where: Base-Base interactions energy: -1654.333 where: short stacking energy: -655.752 Base-Backbone interact. energy: 0.188 local terms energy: -650.137709 where: bonds (distance) C4'-P energy: -107.853 bonds (distance) P-C4' energy: -105.282 flat angles C4'-P-C4' energy: -142.148 flat angles P-C4'-P energy: -101.707 tors. eta vs tors. theta energy: -193.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2291.949277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.949277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.949277 (E_RNA) where: Base-Base interactions energy: -1673.534 where: short stacking energy: -640.284 Base-Backbone interact. energy: 0.041 local terms energy: -618.456345 where: bonds (distance) C4'-P energy: -108.908 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -122.417 flat angles P-C4'-P energy: -80.877 tors. eta vs tors. theta energy: -187.529 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: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2134.199363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.199363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.199363 (E_RNA) where: Base-Base interactions energy: -1537.894 where: short stacking energy: -580.699 Base-Backbone interact. energy: -0.048 local terms energy: -596.257503 where: bonds (distance) C4'-P energy: -102.383 bonds (distance) P-C4' energy: -114.430 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -83.117 tors. eta vs tors. theta energy: -177.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -2020.666614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.666614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.666614 (E_RNA) where: Base-Base interactions energy: -1449.249 where: short stacking energy: -556.882 Base-Backbone interact. energy: 3.348 local terms energy: -574.765458 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -139.517 flat angles P-C4'-P energy: -80.487 tors. eta vs tors. theta energy: -163.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1923.233651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.233651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.233651 (E_RNA) where: Base-Base interactions energy: -1356.213 where: short stacking energy: -535.423 Base-Backbone interact. energy: 2.043 local terms energy: -569.063979 where: bonds (distance) C4'-P energy: -97.470 bonds (distance) P-C4' energy: -105.509 flat angles C4'-P-C4' energy: -126.802 flat angles P-C4'-P energy: -83.474 tors. eta vs tors. theta energy: -155.808 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: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1696.296186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.296186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.296186 (E_RNA) where: Base-Base interactions energy: -1166.205 where: short stacking energy: -459.524 Base-Backbone interact. energy: 1.246 local terms energy: -531.336763 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -128.027 flat angles C4'-P-C4' energy: -107.700 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -127.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2600.259796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.259796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.259796 (E_RNA) where: Base-Base interactions energy: -1886.941 where: short stacking energy: -734.893 Base-Backbone interact. energy: 4.980 local terms energy: -718.298564 where: bonds (distance) C4'-P energy: -135.226 bonds (distance) P-C4' energy: -121.727 flat angles C4'-P-C4' energy: -152.912 flat angles P-C4'-P energy: -101.156 tors. eta vs tors. theta energy: -207.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2540.405060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.405060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.405060 (E_RNA) where: Base-Base interactions energy: -1842.756 where: short stacking energy: -729.237 Base-Backbone interact. energy: -1.419 local terms energy: -696.230106 where: bonds (distance) C4'-P energy: -124.279 bonds (distance) P-C4' energy: -118.954 flat angles C4'-P-C4' energy: -149.085 flat angles P-C4'-P energy: -90.210 tors. eta vs tors. theta energy: -213.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2416.603491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.603491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.603491 (E_RNA) where: Base-Base interactions energy: -1747.137 where: short stacking energy: -703.782 Base-Backbone interact. energy: -2.516 local terms energy: -666.950627 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -131.067 flat angles P-C4'-P energy: -107.166 tors. eta vs tors. theta energy: -207.730 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: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2396.674377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.674377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.674377 (E_RNA) where: Base-Base interactions energy: -1749.953 where: short stacking energy: -678.791 Base-Backbone interact. energy: -0.604 local terms energy: -646.117620 where: bonds (distance) C4'-P energy: -109.440 bonds (distance) P-C4' energy: -120.788 flat angles C4'-P-C4' energy: -126.570 flat angles P-C4'-P energy: -103.422 tors. eta vs tors. theta energy: -185.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2323.305592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.305592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.305592 (E_RNA) where: Base-Base interactions energy: -1677.507 where: short stacking energy: -656.243 Base-Backbone interact. energy: 0.407 local terms energy: -646.205510 where: bonds (distance) C4'-P energy: -109.727 bonds (distance) P-C4' energy: -119.740 flat angles C4'-P-C4' energy: -136.076 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -196.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2302.479964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.479964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.479964 (E_RNA) where: Base-Base interactions energy: -1683.513 where: short stacking energy: -651.938 Base-Backbone interact. energy: -2.529 local terms energy: -616.437848 where: bonds (distance) C4'-P energy: -103.512 bonds (distance) P-C4' energy: -107.993 flat angles C4'-P-C4' energy: -130.189 flat angles P-C4'-P energy: -79.247 tors. eta vs tors. theta energy: -195.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2128.656627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.656627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.656627 (E_RNA) where: Base-Base interactions energy: -1541.675 where: short stacking energy: -599.965 Base-Backbone interact. energy: -1.915 local terms energy: -585.066481 where: bonds (distance) C4'-P energy: -115.126 bonds (distance) P-C4' energy: -99.801 flat angles C4'-P-C4' energy: -125.530 flat angles P-C4'-P energy: -72.329 tors. eta vs tors. theta energy: -172.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -2032.114673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.114673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.114673 (E_RNA) where: Base-Base interactions energy: -1455.467 where: short stacking energy: -565.827 Base-Backbone interact. energy: 1.437 local terms energy: -578.084551 where: bonds (distance) C4'-P energy: -100.893 bonds (distance) P-C4' energy: -98.745 flat angles C4'-P-C4' energy: -126.546 flat angles P-C4'-P energy: -85.234 tors. eta vs tors. theta energy: -166.667 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: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1929.128708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.128708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.128708 (E_RNA) where: Base-Base interactions energy: -1387.463 where: short stacking energy: -565.490 Base-Backbone interact. energy: -1.438 local terms energy: -540.227351 where: bonds (distance) C4'-P energy: -75.318 bonds (distance) P-C4' energy: -88.555 flat angles C4'-P-C4' energy: -130.794 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -156.452 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: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1779.883732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.883732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.883732 (E_RNA) where: Base-Base interactions energy: -1276.600 where: short stacking energy: -509.996 Base-Backbone interact. energy: -1.355 local terms energy: -501.928841 where: bonds (distance) C4'-P energy: -81.204 bonds (distance) P-C4' energy: -92.782 flat angles C4'-P-C4' energy: -119.970 flat angles P-C4'-P energy: -68.747 tors. eta vs tors. theta energy: -139.227 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: 113 Temperature: 0.900000 Total energy: -2563.326369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.326369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.326369 (E_RNA) where: Base-Base interactions energy: -1874.724 where: short stacking energy: -714.221 Base-Backbone interact. energy: -0.688 local terms energy: -687.914401 where: bonds (distance) C4'-P energy: -117.244 bonds (distance) P-C4' energy: -129.616 flat angles C4'-P-C4' energy: -149.304 flat angles P-C4'-P energy: -84.479 tors. eta vs tors. theta energy: -207.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2542.281199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.281199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.281199 (E_RNA) where: Base-Base interactions energy: -1839.260 where: short stacking energy: -734.083 Base-Backbone interact. energy: -0.300 local terms energy: -702.720546 where: bonds (distance) C4'-P energy: -125.482 bonds (distance) P-C4' energy: -117.359 flat angles C4'-P-C4' energy: -138.651 flat angles P-C4'-P energy: -101.251 tors. eta vs tors. theta energy: -219.978 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: 113 Temperature: 1.000000 Total energy: -2465.125807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.125807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.125807 (E_RNA) where: Base-Base interactions energy: -1782.721 where: short stacking energy: -709.176 Base-Backbone interact. energy: 2.542 local terms energy: -684.946175 where: bonds (distance) C4'-P energy: -122.582 bonds (distance) P-C4' energy: -115.110 flat angles C4'-P-C4' energy: -149.136 flat angles P-C4'-P energy: -94.952 tors. eta vs tors. theta energy: -203.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2412.048264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.048264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.048264 (E_RNA) where: Base-Base interactions energy: -1741.257 where: short stacking energy: -690.293 Base-Backbone interact. energy: -0.916 local terms energy: -669.875357 where: bonds (distance) C4'-P energy: -126.048 bonds (distance) P-C4' energy: -118.567 flat angles C4'-P-C4' energy: -136.800 flat angles P-C4'-P energy: -85.230 tors. eta vs tors. theta energy: -203.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2288.651982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.651982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.651982 (E_RNA) where: Base-Base interactions energy: -1645.574 where: short stacking energy: -661.508 Base-Backbone interact. energy: 1.544 local terms energy: -644.621756 where: bonds (distance) C4'-P energy: -105.335 bonds (distance) P-C4' energy: -114.865 flat angles C4'-P-C4' energy: -140.261 flat angles P-C4'-P energy: -90.427 tors. eta vs tors. theta energy: -193.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2275.283331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.283331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.283331 (E_RNA) where: Base-Base interactions energy: -1672.189 where: short stacking energy: -652.631 Base-Backbone interact. energy: -4.081 local terms energy: -599.013705 where: bonds (distance) C4'-P energy: -93.250 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -130.420 flat angles P-C4'-P energy: -94.015 tors. eta vs tors. theta energy: -182.850 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: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2138.303446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.303446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.303446 (E_RNA) where: Base-Base interactions energy: -1543.902 where: short stacking energy: -606.743 Base-Backbone interact. energy: -0.550 local terms energy: -593.851452 where: bonds (distance) C4'-P energy: -97.310 bonds (distance) P-C4' energy: -107.993 flat angles C4'-P-C4' energy: -122.922 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -170.185 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: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -2020.470901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.470901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.470901 (E_RNA) where: Base-Base interactions energy: -1454.154 where: short stacking energy: -571.124 Base-Backbone interact. energy: -1.020 local terms energy: -565.297161 where: bonds (distance) C4'-P energy: -96.610 bonds (distance) P-C4' energy: -106.902 flat angles C4'-P-C4' energy: -119.638 flat angles P-C4'-P energy: -85.234 tors. eta vs tors. theta energy: -156.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1929.889847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.889847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.889847 (E_RNA) where: Base-Base interactions energy: -1371.635 where: short stacking energy: -546.785 Base-Backbone interact. energy: 2.414 local terms energy: -560.668829 where: bonds (distance) C4'-P energy: -109.495 bonds (distance) P-C4' energy: -94.832 flat angles C4'-P-C4' energy: -121.596 flat angles P-C4'-P energy: -70.491 tors. eta vs tors. theta energy: -164.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1766.185933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.185933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.185933 (E_RNA) where: Base-Base interactions energy: -1251.858 where: short stacking energy: -487.118 Base-Backbone interact. energy: 7.958 local terms energy: -522.286605 where: bonds (distance) C4'-P energy: -87.978 bonds (distance) P-C4' energy: -107.933 flat angles C4'-P-C4' energy: -121.079 flat angles P-C4'-P energy: -69.803 tors. eta vs tors. theta energy: -135.494 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: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2571.753759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.753759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.753759 (E_RNA) where: Base-Base interactions energy: -1856.599 where: short stacking energy: -722.201 Base-Backbone interact. energy: -1.644 local terms energy: -713.510973 where: bonds (distance) C4'-P energy: -130.548 bonds (distance) P-C4' energy: -123.722 flat angles C4'-P-C4' energy: -146.109 flat angles P-C4'-P energy: -101.021 tors. eta vs tors. theta energy: -212.111 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: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2560.554179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.554179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.554179 (E_RNA) where: Base-Base interactions energy: -1869.878 where: short stacking energy: -717.728 Base-Backbone interact. energy: -3.974 local terms energy: -686.702810 where: bonds (distance) C4'-P energy: -114.304 bonds (distance) P-C4' energy: -121.347 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -98.642 tors. eta vs tors. theta energy: -203.791 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: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2425.183532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.183532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.183532 (E_RNA) where: Base-Base interactions energy: -1763.620 where: short stacking energy: -688.478 Base-Backbone interact. energy: -0.115 local terms energy: -661.449368 where: bonds (distance) C4'-P energy: -123.721 bonds (distance) P-C4' energy: -107.929 flat angles C4'-P-C4' energy: -132.066 flat angles P-C4'-P energy: -96.138 tors. eta vs tors. theta energy: -201.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2373.459747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.459747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.459747 (E_RNA) where: Base-Base interactions energy: -1706.918 where: short stacking energy: -652.378 Base-Backbone interact. energy: -0.836 local terms energy: -665.706053 where: bonds (distance) C4'-P energy: -117.589 bonds (distance) P-C4' energy: -130.111 flat angles C4'-P-C4' energy: -139.290 flat angles P-C4'-P energy: -89.634 tors. eta vs tors. theta energy: -189.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2286.195650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.195650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.195650 (E_RNA) where: Base-Base interactions energy: -1647.752 where: short stacking energy: -656.621 Base-Backbone interact. energy: 1.140 local terms energy: -639.584204 where: bonds (distance) C4'-P energy: -106.484 bonds (distance) P-C4' energy: -120.232 flat angles C4'-P-C4' energy: -123.806 flat angles P-C4'-P energy: -89.035 tors. eta vs tors. theta energy: -200.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2256.101818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.101818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.101818 (E_RNA) where: Base-Base interactions energy: -1631.848 where: short stacking energy: -621.756 Base-Backbone interact. energy: 0.563 local terms energy: -624.816371 where: bonds (distance) C4'-P energy: -96.844 bonds (distance) P-C4' energy: -127.070 flat angles C4'-P-C4' energy: -140.286 flat angles P-C4'-P energy: -81.704 tors. eta vs tors. theta energy: -178.913 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: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2183.448759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.448759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.448759 (E_RNA) where: Base-Base interactions energy: -1561.557 where: short stacking energy: -603.821 Base-Backbone interact. energy: -0.975 local terms energy: -620.917075 where: bonds (distance) C4'-P energy: -97.215 bonds (distance) P-C4' energy: -114.360 flat angles C4'-P-C4' energy: -131.170 flat angles P-C4'-P energy: -102.565 tors. eta vs tors. theta energy: -175.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -2038.592319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.592319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.592319 (E_RNA) where: Base-Base interactions energy: -1476.660 where: short stacking energy: -551.596 Base-Backbone interact. energy: 0.386 local terms energy: -562.318155 where: bonds (distance) C4'-P energy: -103.627 bonds (distance) P-C4' energy: -100.507 flat angles C4'-P-C4' energy: -122.990 flat angles P-C4'-P energy: -79.267 tors. eta vs tors. theta energy: -155.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1960.543172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.543172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.543172 (E_RNA) where: Base-Base interactions energy: -1401.961 where: short stacking energy: -551.669 Base-Backbone interact. energy: -0.836 local terms energy: -557.745802 where: bonds (distance) C4'-P energy: -101.421 bonds (distance) P-C4' energy: -106.755 flat angles C4'-P-C4' energy: -120.968 flat angles P-C4'-P energy: -73.796 tors. eta vs tors. theta energy: -154.807 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: 114 Temperature: 1.350000 Total energy: -1735.736129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.736129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.736129 (E_RNA) where: Base-Base interactions energy: -1236.471 where: short stacking energy: -470.111 Base-Backbone interact. energy: 4.530 local terms energy: -503.795092 where: bonds (distance) C4'-P energy: -90.544 bonds (distance) P-C4' energy: -96.067 flat angles C4'-P-C4' energy: -112.399 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -124.960 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: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2587.528840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.528840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.528840 (E_RNA) where: Base-Base interactions energy: -1870.655 where: short stacking energy: -731.037 Base-Backbone interact. energy: -0.672 local terms energy: -716.201605 where: bonds (distance) C4'-P energy: -132.573 bonds (distance) P-C4' energy: -127.848 flat angles C4'-P-C4' energy: -140.311 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -215.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2540.602440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.602440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.602440 (E_RNA) where: Base-Base interactions energy: -1856.233 where: short stacking energy: -729.772 Base-Backbone interact. energy: -2.929 local terms energy: -681.440646 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -120.379 flat angles C4'-P-C4' energy: -142.133 flat angles P-C4'-P energy: -100.484 tors. eta vs tors. theta energy: -205.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2440.666274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.666274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.666274 (E_RNA) where: Base-Base interactions energy: -1766.024 where: short stacking energy: -695.376 Base-Backbone interact. energy: 2.653 local terms energy: -677.295511 where: bonds (distance) C4'-P energy: -110.564 bonds (distance) P-C4' energy: -117.708 flat angles C4'-P-C4' energy: -150.653 flat angles P-C4'-P energy: -98.107 tors. eta vs tors. theta energy: -200.263 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: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2386.172515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.172515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.172515 (E_RNA) where: Base-Base interactions energy: -1745.754 where: short stacking energy: -677.283 Base-Backbone interact. energy: 1.418 local terms energy: -641.836791 where: bonds (distance) C4'-P energy: -111.795 bonds (distance) P-C4' energy: -106.062 flat angles C4'-P-C4' energy: -141.306 flat angles P-C4'-P energy: -98.834 tors. eta vs tors. theta energy: -183.840 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: 115 Temperature: 1.100000 Total energy: -2320.001374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.001374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.001374 (E_RNA) where: Base-Base interactions energy: -1672.790 where: short stacking energy: -655.726 Base-Backbone interact. energy: -2.655 local terms energy: -644.556848 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -103.592 flat angles C4'-P-C4' energy: -145.262 flat angles P-C4'-P energy: -91.555 tors. eta vs tors. theta energy: -198.116 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: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2264.319590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.319590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.319590 (E_RNA) where: Base-Base interactions energy: -1627.799 where: short stacking energy: -626.582 Base-Backbone interact. energy: -1.768 local terms energy: -634.752757 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -104.994 flat angles C4'-P-C4' energy: -139.163 flat angles P-C4'-P energy: -103.008 tors. eta vs tors. theta energy: -187.585 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: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2147.267045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.267045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.267045 (E_RNA) where: Base-Base interactions energy: -1554.416 where: short stacking energy: -601.779 Base-Backbone interact. energy: -1.409 local terms energy: -591.441987 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -113.280 flat angles C4'-P-C4' energy: -119.588 flat angles P-C4'-P energy: -85.089 tors. eta vs tors. theta energy: -173.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -2079.454941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.454941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.454941 (E_RNA) where: Base-Base interactions energy: -1515.279 where: short stacking energy: -576.561 Base-Backbone interact. energy: -0.867 local terms energy: -563.308662 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -111.679 flat angles C4'-P-C4' energy: -113.221 flat angles P-C4'-P energy: -77.834 tors. eta vs tors. theta energy: -156.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1919.475545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.475545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.475545 (E_RNA) where: Base-Base interactions energy: -1384.695 where: short stacking energy: -554.023 Base-Backbone interact. energy: -1.644 local terms energy: -533.135692 where: bonds (distance) C4'-P energy: -93.819 bonds (distance) P-C4' energy: -95.868 flat angles C4'-P-C4' energy: -119.879 flat angles P-C4'-P energy: -73.913 tors. eta vs tors. theta energy: -149.656 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: 115 Temperature: 1.350000 Total energy: -1763.195486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.195486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.195486 (E_RNA) where: Base-Base interactions energy: -1278.121 where: short stacking energy: -497.014 Base-Backbone interact. energy: 2.108 local terms energy: -487.182905 where: bonds (distance) C4'-P energy: -99.543 bonds (distance) P-C4' energy: -73.380 flat angles C4'-P-C4' energy: -116.465 flat angles P-C4'-P energy: -77.074 tors. eta vs tors. theta energy: -120.720 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: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2617.670410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.670410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.670410 (E_RNA) where: Base-Base interactions energy: -1916.187 where: short stacking energy: -744.137 Base-Backbone interact. energy: -0.525 local terms energy: -700.958890 where: bonds (distance) C4'-P energy: -117.376 bonds (distance) P-C4' energy: -131.576 flat angles C4'-P-C4' energy: -148.349 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -212.818 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: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2526.205225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.205225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.205225 (E_RNA) where: Base-Base interactions energy: -1834.086 where: short stacking energy: -697.054 Base-Backbone interact. energy: 2.013 local terms energy: -694.131879 where: bonds (distance) C4'-P energy: -120.262 bonds (distance) P-C4' energy: -130.127 flat angles C4'-P-C4' energy: -138.560 flat angles P-C4'-P energy: -106.582 tors. eta vs tors. theta energy: -198.602 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: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2432.442690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.442690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.442690 (E_RNA) where: Base-Base interactions energy: -1785.051 where: short stacking energy: -701.037 Base-Backbone interact. energy: -0.513 local terms energy: -646.878853 where: bonds (distance) C4'-P energy: -114.281 bonds (distance) P-C4' energy: -103.387 flat angles C4'-P-C4' energy: -140.115 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -196.800 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: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2391.436088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.436088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.436088 (E_RNA) where: Base-Base interactions energy: -1730.280 where: short stacking energy: -684.636 Base-Backbone interact. energy: 5.382 local terms energy: -666.537765 where: bonds (distance) C4'-P energy: -107.004 bonds (distance) P-C4' energy: -112.090 flat angles C4'-P-C4' energy: -145.073 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -202.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2334.726737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.726737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.726737 (E_RNA) where: Base-Base interactions energy: -1692.398 where: short stacking energy: -665.597 Base-Backbone interact. energy: -0.490 local terms energy: -641.838742 where: bonds (distance) C4'-P energy: -103.472 bonds (distance) P-C4' energy: -115.916 flat angles C4'-P-C4' energy: -134.165 flat angles P-C4'-P energy: -92.615 tors. eta vs tors. theta energy: -195.671 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: 116 Temperature: 1.150000 Total energy: -2263.241101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.241101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.241101 (E_RNA) where: Base-Base interactions energy: -1664.479 where: short stacking energy: -628.677 Base-Backbone interact. energy: -1.904 local terms energy: -596.858075 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -92.403 flat angles C4'-P-C4' energy: -125.178 flat angles P-C4'-P energy: -83.577 tors. eta vs tors. theta energy: -182.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2184.776223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.776223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.776223 (E_RNA) where: Base-Base interactions energy: -1584.153 where: short stacking energy: -610.401 Base-Backbone interact. energy: -0.690 local terms energy: -599.933031 where: bonds (distance) C4'-P energy: -103.028 bonds (distance) P-C4' energy: -91.044 flat angles C4'-P-C4' energy: -130.912 flat angles P-C4'-P energy: -99.008 tors. eta vs tors. theta energy: -175.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -2072.035400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.035400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.035400 (E_RNA) where: Base-Base interactions energy: -1500.776 where: short stacking energy: -564.669 Base-Backbone interact. energy: 0.210 local terms energy: -571.469794 where: bonds (distance) C4'-P energy: -109.732 bonds (distance) P-C4' energy: -106.400 flat angles C4'-P-C4' energy: -123.342 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -165.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1824.614177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.614177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.614177 (E_RNA) where: Base-Base interactions energy: -1301.996 where: short stacking energy: -516.635 Base-Backbone interact. energy: -0.976 local terms energy: -521.641947 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -89.554 flat angles C4'-P-C4' energy: -116.225 flat angles P-C4'-P energy: -74.206 tors. eta vs tors. theta energy: -137.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1871.326658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.326658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.326658 (E_RNA) where: Base-Base interactions energy: -1335.876 where: short stacking energy: -527.957 Base-Backbone interact. energy: 1.132 local terms energy: -536.582657 where: bonds (distance) C4'-P energy: -81.626 bonds (distance) P-C4' energy: -101.155 flat angles C4'-P-C4' energy: -123.014 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -158.880 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: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2627.053707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.053707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.053707 (E_RNA) where: Base-Base interactions energy: -1951.351 where: short stacking energy: -751.864 Base-Backbone interact. energy: -0.620 local terms energy: -675.082255 where: bonds (distance) C4'-P energy: -117.370 bonds (distance) P-C4' energy: -111.007 flat angles C4'-P-C4' energy: -151.222 flat angles P-C4'-P energy: -84.012 tors. eta vs tors. theta energy: -211.471 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: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2549.692110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.692110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.692110 (E_RNA) where: Base-Base interactions energy: -1847.054 where: short stacking energy: -716.363 Base-Backbone interact. energy: -3.599 local terms energy: -699.039212 where: bonds (distance) C4'-P energy: -120.562 bonds (distance) P-C4' energy: -126.631 flat angles C4'-P-C4' energy: -145.599 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -210.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2428.225493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.225493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.225493 (E_RNA) where: Base-Base interactions energy: -1765.118 where: short stacking energy: -686.212 Base-Backbone interact. energy: -0.705 local terms energy: -662.403070 where: bonds (distance) C4'-P energy: -115.734 bonds (distance) P-C4' energy: -121.402 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -93.805 tors. eta vs tors. theta energy: -192.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2396.412968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.412968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.412968 (E_RNA) where: Base-Base interactions energy: -1737.045 where: short stacking energy: -688.945 Base-Backbone interact. energy: 4.390 local terms energy: -663.757193 where: bonds (distance) C4'-P energy: -117.470 bonds (distance) P-C4' energy: -122.126 flat angles C4'-P-C4' energy: -132.046 flat angles P-C4'-P energy: -102.087 tors. eta vs tors. theta energy: -190.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2364.827991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.827991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.827991 (E_RNA) where: Base-Base interactions energy: -1688.409 where: short stacking energy: -691.376 Base-Backbone interact. energy: 0.771 local terms energy: -677.190536 where: bonds (distance) C4'-P energy: -110.003 bonds (distance) P-C4' energy: -119.656 flat angles C4'-P-C4' energy: -146.846 flat angles P-C4'-P energy: -98.296 tors. eta vs tors. theta energy: -202.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2264.722608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.722608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.722608 (E_RNA) where: Base-Base interactions energy: -1647.325 where: short stacking energy: -620.312 Base-Backbone interact. energy: 0.943 local terms energy: -618.341024 where: bonds (distance) C4'-P energy: -89.603 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -125.806 flat angles P-C4'-P energy: -95.915 tors. eta vs tors. theta energy: -188.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2143.820801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.820801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.820801 (E_RNA) where: Base-Base interactions energy: -1546.279 where: short stacking energy: -600.872 Base-Backbone interact. energy: 5.892 local terms energy: -603.433478 where: bonds (distance) C4'-P energy: -117.477 bonds (distance) P-C4' energy: -101.964 flat angles C4'-P-C4' energy: -127.703 flat angles P-C4'-P energy: -86.228 tors. eta vs tors. theta energy: -170.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -2065.500893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.500893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.500893 (E_RNA) where: Base-Base interactions energy: -1490.115 where: short stacking energy: -581.770 Base-Backbone interact. energy: 0.498 local terms energy: -575.883602 where: bonds (distance) C4'-P energy: -99.096 bonds (distance) P-C4' energy: -101.513 flat angles C4'-P-C4' energy: -124.013 flat angles P-C4'-P energy: -76.642 tors. eta vs tors. theta energy: -174.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1859.708269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.708269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.708269 (E_RNA) where: Base-Base interactions energy: -1307.142 where: short stacking energy: -497.382 Base-Backbone interact. energy: -2.381 local terms energy: -550.185262 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -105.736 flat angles C4'-P-C4' energy: -126.711 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -139.197 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: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1904.626717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.626717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.626717 (E_RNA) where: Base-Base interactions energy: -1362.243 where: short stacking energy: -559.309 Base-Backbone interact. energy: -2.781 local terms energy: -539.602281 where: bonds (distance) C4'-P energy: -65.891 bonds (distance) P-C4' energy: -111.836 flat angles C4'-P-C4' energy: -127.364 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -158.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2611.968646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.968646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.968646 (E_RNA) where: Base-Base interactions energy: -1896.729 where: short stacking energy: -739.543 Base-Backbone interact. energy: -2.938 local terms energy: -712.302214 where: bonds (distance) C4'-P energy: -123.230 bonds (distance) P-C4' energy: -124.736 flat angles C4'-P-C4' energy: -150.585 flat angles P-C4'-P energy: -104.504 tors. eta vs tors. theta energy: -209.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2529.577734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.577734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.577734 (E_RNA) where: Base-Base interactions energy: -1842.448 where: short stacking energy: -722.512 Base-Backbone interact. energy: 0.563 local terms energy: -687.692555 where: bonds (distance) C4'-P energy: -124.193 bonds (distance) P-C4' energy: -119.475 flat angles C4'-P-C4' energy: -140.916 flat angles P-C4'-P energy: -90.855 tors. eta vs tors. theta energy: -212.254 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: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2411.758044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.758044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.758044 (E_RNA) where: Base-Base interactions energy: -1773.807 where: short stacking energy: -682.878 Base-Backbone interact. energy: 1.809 local terms energy: -639.759995 where: bonds (distance) C4'-P energy: -119.623 bonds (distance) P-C4' energy: -119.096 flat angles C4'-P-C4' energy: -136.174 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: -195.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2403.816076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.816076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.816076 (E_RNA) where: Base-Base interactions energy: -1732.727 where: short stacking energy: -677.690 Base-Backbone interact. energy: -0.740 local terms energy: -670.349670 where: bonds (distance) C4'-P energy: -125.588 bonds (distance) P-C4' energy: -111.560 flat angles C4'-P-C4' energy: -135.523 flat angles P-C4'-P energy: -94.939 tors. eta vs tors. theta energy: -202.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2326.050446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.050446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.050446 (E_RNA) where: Base-Base interactions energy: -1701.310 where: short stacking energy: -653.860 Base-Backbone interact. energy: -1.398 local terms energy: -623.341533 where: bonds (distance) C4'-P energy: -90.288 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -141.628 flat angles P-C4'-P energy: -80.182 tors. eta vs tors. theta energy: -199.255 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: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2286.435226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.435226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.435226 (E_RNA) where: Base-Base interactions energy: -1625.548 where: short stacking energy: -654.567 Base-Backbone interact. energy: -1.192 local terms energy: -659.695325 where: bonds (distance) C4'-P energy: -108.439 bonds (distance) P-C4' energy: -117.616 flat angles C4'-P-C4' energy: -130.642 flat angles P-C4'-P energy: -100.706 tors. eta vs tors. theta energy: -202.291 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: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2120.926106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.926106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.926106 (E_RNA) where: Base-Base interactions energy: -1518.857 where: short stacking energy: -602.830 Base-Backbone interact. energy: 0.765 local terms energy: -602.834068 where: bonds (distance) C4'-P energy: -114.651 bonds (distance) P-C4' energy: -92.983 flat angles C4'-P-C4' energy: -128.813 flat angles P-C4'-P energy: -88.111 tors. eta vs tors. theta energy: -178.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -2103.267290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.267290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.267290 (E_RNA) where: Base-Base interactions energy: -1527.696 where: short stacking energy: -577.015 Base-Backbone interact. energy: -0.797 local terms energy: -574.774295 where: bonds (distance) C4'-P energy: -117.465 bonds (distance) P-C4' energy: -111.816 flat angles C4'-P-C4' energy: -115.358 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -152.361 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: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1901.584084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.584084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.584084 (E_RNA) where: Base-Base interactions energy: -1368.288 where: short stacking energy: -536.234 Base-Backbone interact. energy: 0.237 local terms energy: -533.533197 where: bonds (distance) C4'-P energy: -108.024 bonds (distance) P-C4' energy: -103.151 flat angles C4'-P-C4' energy: -121.195 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -146.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1781.710554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.710554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.710554 (E_RNA) where: Base-Base interactions energy: -1265.196 where: short stacking energy: -495.589 Base-Backbone interact. energy: -2.207 local terms energy: -514.307573 where: bonds (distance) C4'-P energy: -82.941 bonds (distance) P-C4' energy: -104.573 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -68.359 tors. eta vs tors. theta energy: -147.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2616.160883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.160883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.160883 (E_RNA) where: Base-Base interactions energy: -1915.256 where: short stacking energy: -744.675 Base-Backbone interact. energy: -1.119 local terms energy: -699.785845 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -124.072 flat angles C4'-P-C4' energy: -145.766 flat angles P-C4'-P energy: -100.572 tors. eta vs tors. theta energy: -212.045 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: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2522.012301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.012301 (E_RNA) where: Base-Base interactions energy: -1856.402 where: short stacking energy: -721.891 Base-Backbone interact. energy: 0.182 local terms energy: -665.792261 where: bonds (distance) C4'-P energy: -115.436 bonds (distance) P-C4' energy: -112.024 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -93.661 tors. eta vs tors. theta energy: -205.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2433.546162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.546162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.546162 (E_RNA) where: Base-Base interactions energy: -1793.389 where: short stacking energy: -697.727 Base-Backbone interact. energy: -2.833 local terms energy: -637.324418 where: bonds (distance) C4'-P energy: -112.971 bonds (distance) P-C4' energy: -110.284 flat angles C4'-P-C4' energy: -127.449 flat angles P-C4'-P energy: -97.518 tors. eta vs tors. theta energy: -189.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2379.623041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.623041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.623041 (E_RNA) where: Base-Base interactions energy: -1725.368 where: short stacking energy: -684.046 Base-Backbone interact. energy: -0.331 local terms energy: -653.924143 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -107.929 flat angles C4'-P-C4' energy: -127.525 flat angles P-C4'-P energy: -103.782 tors. eta vs tors. theta energy: -200.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2348.847675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.847675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.847675 (E_RNA) where: Base-Base interactions energy: -1693.694 where: short stacking energy: -650.223 Base-Backbone interact. energy: -2.763 local terms energy: -652.390975 where: bonds (distance) C4'-P energy: -114.769 bonds (distance) P-C4' energy: -107.842 flat angles C4'-P-C4' energy: -145.163 flat angles P-C4'-P energy: -87.773 tors. eta vs tors. theta energy: -196.845 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: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2303.154682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.154682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.154682 (E_RNA) where: Base-Base interactions energy: -1665.680 where: short stacking energy: -663.355 Base-Backbone interact. energy: -1.936 local terms energy: -635.538895 where: bonds (distance) C4'-P energy: -101.976 bonds (distance) P-C4' energy: -115.989 flat angles C4'-P-C4' energy: -139.402 flat angles P-C4'-P energy: -87.202 tors. eta vs tors. theta energy: -190.970 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: 7, replica: 1 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2113.168256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.168256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.168256 (E_RNA) where: Base-Base interactions energy: -1521.449 where: short stacking energy: -595.024 Base-Backbone interact. energy: -1.709 local terms energy: -590.010338 where: bonds (distance) C4'-P energy: -99.155 bonds (distance) P-C4' energy: -111.067 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -81.621 tors. eta vs tors. theta energy: -173.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -2083.887476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.887476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.887476 (E_RNA) where: Base-Base interactions energy: -1521.376 where: short stacking energy: -588.155 Base-Backbone interact. energy: -1.897 local terms energy: -560.614092 where: bonds (distance) C4'-P energy: -74.887 bonds (distance) P-C4' energy: -100.518 flat angles C4'-P-C4' energy: -122.147 flat angles P-C4'-P energy: -88.427 tors. eta vs tors. theta energy: -174.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1867.704822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.704822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.704822 (E_RNA) where: Base-Base interactions energy: -1355.323 where: short stacking energy: -518.117 Base-Backbone interact. energy: 8.091 local terms energy: -520.473037 where: bonds (distance) C4'-P energy: -82.251 bonds (distance) P-C4' energy: -104.549 flat angles C4'-P-C4' energy: -117.631 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: -146.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1765.093977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.093977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.093977 (E_RNA) where: Base-Base interactions energy: -1260.654 where: short stacking energy: -507.433 Base-Backbone interact. energy: -1.675 local terms energy: -502.764659 where: bonds (distance) C4'-P energy: -91.237 bonds (distance) P-C4' energy: -100.414 flat angles C4'-P-C4' energy: -114.554 flat angles P-C4'-P energy: -64.214 tors. eta vs tors. theta energy: -132.346 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: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2570.871335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.871335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.871335 (E_RNA) where: Base-Base interactions energy: -1870.387 where: short stacking energy: -734.503 Base-Backbone interact. energy: 2.727 local terms energy: -703.211648 where: bonds (distance) C4'-P energy: -125.043 bonds (distance) P-C4' energy: -138.572 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -89.043 tors. eta vs tors. theta energy: -205.287 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: 2, replica: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2548.575130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.575130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.575130 (E_RNA) where: Base-Base interactions energy: -1843.179 where: short stacking energy: -708.698 Base-Backbone interact. energy: -3.204 local terms energy: -702.192539 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -118.562 flat angles C4'-P-C4' energy: -161.389 flat angles P-C4'-P energy: -101.336 tors. eta vs tors. theta energy: -202.182 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: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2414.518857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.518857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.518857 (E_RNA) where: Base-Base interactions energy: -1781.485 where: short stacking energy: -669.527 Base-Backbone interact. energy: 4.013 local terms energy: -637.046762 where: bonds (distance) C4'-P energy: -111.799 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -141.944 flat angles P-C4'-P energy: -76.984 tors. eta vs tors. theta energy: -191.716 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: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2387.684042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.684042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.684042 (E_RNA) where: Base-Base interactions energy: -1708.012 where: short stacking energy: -669.963 Base-Backbone interact. energy: -0.943 local terms energy: -678.728881 where: bonds (distance) C4'-P energy: -113.483 bonds (distance) P-C4' energy: -127.228 flat angles C4'-P-C4' energy: -135.917 flat angles P-C4'-P energy: -95.710 tors. eta vs tors. theta energy: -206.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2312.630233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.630233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.630233 (E_RNA) where: Base-Base interactions energy: -1665.739 where: short stacking energy: -659.479 Base-Backbone interact. energy: 1.551 local terms energy: -648.442094 where: bonds (distance) C4'-P energy: -102.576 bonds (distance) P-C4' energy: -120.944 flat angles C4'-P-C4' energy: -143.276 flat angles P-C4'-P energy: -83.053 tors. eta vs tors. theta energy: -198.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2274.277478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.277478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.277478 (E_RNA) where: Base-Base interactions energy: -1634.001 where: short stacking energy: -635.301 Base-Backbone interact. energy: -2.631 local terms energy: -637.645839 where: bonds (distance) C4'-P energy: -107.314 bonds (distance) P-C4' energy: -107.019 flat angles C4'-P-C4' energy: -138.747 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -197.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2157.894808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.894808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.894808 (E_RNA) where: Base-Base interactions energy: -1552.421 where: short stacking energy: -623.608 Base-Backbone interact. energy: -2.677 local terms energy: -602.797570 where: bonds (distance) C4'-P energy: -103.911 bonds (distance) P-C4' energy: -105.580 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -85.606 tors. eta vs tors. theta energy: -182.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -2056.629388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.629388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.629388 (E_RNA) where: Base-Base interactions energy: -1489.932 where: short stacking energy: -583.138 Base-Backbone interact. energy: 0.929 local terms energy: -567.626836 where: bonds (distance) C4'-P energy: -96.224 bonds (distance) P-C4' energy: -104.265 flat angles C4'-P-C4' energy: -120.995 flat angles P-C4'-P energy: -71.632 tors. eta vs tors. theta energy: -174.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1869.839571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.839571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.839571 (E_RNA) where: Base-Base interactions energy: -1322.801 where: short stacking energy: -511.741 Base-Backbone interact. energy: -1.244 local terms energy: -545.795390 where: bonds (distance) C4'-P energy: -99.666 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -110.409 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -142.453 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: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1685.003863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.003863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.003863 (E_RNA) where: Base-Base interactions energy: -1185.912 where: short stacking energy: -457.251 Base-Backbone interact. energy: -0.571 local terms energy: -498.521775 where: bonds (distance) C4'-P energy: -101.235 bonds (distance) P-C4' energy: -87.581 flat angles C4'-P-C4' energy: -120.422 flat angles P-C4'-P energy: -68.307 tors. eta vs tors. theta energy: -120.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2603.202647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.202647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.202647 (E_RNA) where: Base-Base interactions energy: -1898.272 where: short stacking energy: -745.514 Base-Backbone interact. energy: 0.027 local terms energy: -704.957854 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -124.722 flat angles C4'-P-C4' energy: -147.882 flat angles P-C4'-P energy: -98.295 tors. eta vs tors. theta energy: -209.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2514.458782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.458782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.458782 (E_RNA) where: Base-Base interactions energy: -1808.506 where: short stacking energy: -711.477 Base-Backbone interact. energy: -0.385 local terms energy: -705.567281 where: bonds (distance) C4'-P energy: -117.264 bonds (distance) P-C4' energy: -124.285 flat angles C4'-P-C4' energy: -153.617 flat angles P-C4'-P energy: -102.573 tors. eta vs tors. theta energy: -207.829 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: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2480.176831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.176831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.176831 (E_RNA) where: Base-Base interactions energy: -1792.693 where: short stacking energy: -688.769 Base-Backbone interact. energy: 0.045 local terms energy: -687.527995 where: bonds (distance) C4'-P energy: -126.124 bonds (distance) P-C4' energy: -123.806 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -189.468 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: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2402.210640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.210640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.210640 (E_RNA) where: Base-Base interactions energy: -1721.501 where: short stacking energy: -665.865 Base-Backbone interact. energy: -0.866 local terms energy: -679.843601 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -113.743 flat angles C4'-P-C4' energy: -137.401 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -200.536 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: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2327.451224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.451224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.451224 (E_RNA) where: Base-Base interactions energy: -1665.920 where: short stacking energy: -660.299 Base-Backbone interact. energy: -2.395 local terms energy: -659.135920 where: bonds (distance) C4'-P energy: -106.699 bonds (distance) P-C4' energy: -107.285 flat angles C4'-P-C4' energy: -146.529 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -200.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2287.642830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.642830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.642830 (E_RNA) where: Base-Base interactions energy: -1696.949 where: short stacking energy: -644.535 Base-Backbone interact. energy: 0.281 local terms energy: -590.974231 where: bonds (distance) C4'-P energy: -110.093 bonds (distance) P-C4' energy: -105.870 flat angles C4'-P-C4' energy: -124.005 flat angles P-C4'-P energy: -68.263 tors. eta vs tors. theta energy: -182.743 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: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2148.255396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.255396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.255396 (E_RNA) where: Base-Base interactions energy: -1544.816 where: short stacking energy: -607.672 Base-Backbone interact. energy: -1.545 local terms energy: -601.894608 where: bonds (distance) C4'-P energy: -107.626 bonds (distance) P-C4' energy: -105.517 flat angles C4'-P-C4' energy: -121.074 flat angles P-C4'-P energy: -88.930 tors. eta vs tors. theta energy: -178.747 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: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -2058.499964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.499964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.499964 (E_RNA) where: Base-Base interactions energy: -1468.181 where: short stacking energy: -574.989 Base-Backbone interact. energy: 1.150 local terms energy: -591.468824 where: bonds (distance) C4'-P energy: -95.707 bonds (distance) P-C4' energy: -108.774 flat angles C4'-P-C4' energy: -137.183 flat angles P-C4'-P energy: -83.181 tors. eta vs tors. theta energy: -166.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1853.456681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.456681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.456681 (E_RNA) where: Base-Base interactions energy: -1297.498 where: short stacking energy: -524.008 Base-Backbone interact. energy: -1.880 local terms energy: -554.079545 where: bonds (distance) C4'-P energy: -91.690 bonds (distance) P-C4' energy: -105.393 flat angles C4'-P-C4' energy: -128.619 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: -150.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1782.225221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.225221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.225221 (E_RNA) where: Base-Base interactions energy: -1279.158 where: short stacking energy: -510.318 Base-Backbone interact. energy: 2.647 local terms energy: -505.713966 where: bonds (distance) C4'-P energy: -91.773 bonds (distance) P-C4' energy: -96.371 flat angles C4'-P-C4' energy: -107.754 flat angles P-C4'-P energy: -70.388 tors. eta vs tors. theta energy: -139.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2580.840116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.840116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.840116 (E_RNA) where: Base-Base interactions energy: -1895.837 where: short stacking energy: -741.070 Base-Backbone interact. energy: 1.973 local terms energy: -686.976321 where: bonds (distance) C4'-P energy: -120.721 bonds (distance) P-C4' energy: -125.665 flat angles C4'-P-C4' energy: -140.475 flat angles P-C4'-P energy: -91.026 tors. eta vs tors. theta energy: -209.089 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: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2496.699612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.699612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.699612 (E_RNA) where: Base-Base interactions energy: -1812.057 where: short stacking energy: -715.804 Base-Backbone interact. energy: -1.074 local terms energy: -683.568233 where: bonds (distance) C4'-P energy: -112.719 bonds (distance) P-C4' energy: -119.292 flat angles C4'-P-C4' energy: -143.423 flat angles P-C4'-P energy: -98.979 tors. eta vs tors. theta energy: -209.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2444.165059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.165059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.165059 (E_RNA) where: Base-Base interactions energy: -1768.272 where: short stacking energy: -686.591 Base-Backbone interact. energy: 4.280 local terms energy: -680.172762 where: bonds (distance) C4'-P energy: -120.008 bonds (distance) P-C4' energy: -122.659 flat angles C4'-P-C4' energy: -140.155 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -193.511 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: 122 Temperature: 1.050000 Total energy: -2382.132870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.132870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.132870 (E_RNA) where: Base-Base interactions energy: -1724.406 where: short stacking energy: -672.445 Base-Backbone interact. energy: 1.412 local terms energy: -659.138632 where: bonds (distance) C4'-P energy: -121.296 bonds (distance) P-C4' energy: -124.633 flat angles C4'-P-C4' energy: -126.107 flat angles P-C4'-P energy: -90.095 tors. eta vs tors. theta energy: -197.007 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2325.360835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.360835 (E_RNA) where: Base-Base interactions energy: -1681.638 where: short stacking energy: -665.301 Base-Backbone interact. energy: 0.917 local terms energy: -644.640097 where: bonds (distance) C4'-P energy: -109.895 bonds (distance) P-C4' energy: -114.964 flat angles C4'-P-C4' energy: -138.064 flat angles P-C4'-P energy: -93.118 tors. eta vs tors. theta energy: -188.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2263.626076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.626076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.626076 (E_RNA) where: Base-Base interactions energy: -1647.898 where: short stacking energy: -637.278 Base-Backbone interact. energy: -1.492 local terms energy: -614.235669 where: bonds (distance) C4'-P energy: -109.599 bonds (distance) P-C4' energy: -108.089 flat angles C4'-P-C4' energy: -131.946 flat angles P-C4'-P energy: -86.688 tors. eta vs tors. theta energy: -177.914 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: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2165.227043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.227043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.227043 (E_RNA) where: Base-Base interactions energy: -1553.330 where: short stacking energy: -604.804 Base-Backbone interact. energy: -2.352 local terms energy: -609.545267 where: bonds (distance) C4'-P energy: -117.459 bonds (distance) P-C4' energy: -101.703 flat angles C4'-P-C4' energy: -126.288 flat angles P-C4'-P energy: -86.303 tors. eta vs tors. theta energy: -177.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -2067.020975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.020975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.020975 (E_RNA) where: Base-Base interactions energy: -1522.476 where: short stacking energy: -597.426 Base-Backbone interact. energy: -0.962 local terms energy: -543.582663 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -91.382 flat angles C4'-P-C4' energy: -126.731 flat angles P-C4'-P energy: -66.780 tors. eta vs tors. theta energy: -171.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1847.498715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.498715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.498715 (E_RNA) where: Base-Base interactions energy: -1315.418 where: short stacking energy: -515.582 Base-Backbone interact. energy: -1.449 local terms energy: -530.631545 where: bonds (distance) C4'-P energy: -78.419 bonds (distance) P-C4' energy: -114.675 flat angles C4'-P-C4' energy: -117.416 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -150.810 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: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1877.875581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.875581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.875581 (E_RNA) where: Base-Base interactions energy: -1336.644 where: short stacking energy: -519.378 Base-Backbone interact. energy: 2.369 local terms energy: -543.599933 where: bonds (distance) C4'-P energy: -86.482 bonds (distance) P-C4' energy: -105.171 flat angles C4'-P-C4' energy: -123.395 flat angles P-C4'-P energy: -74.449 tors. eta vs tors. theta energy: -154.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2606.772467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.772467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.772467 (E_RNA) where: Base-Base interactions energy: -1903.284 where: short stacking energy: -723.085 Base-Backbone interact. energy: -1.208 local terms energy: -702.280379 where: bonds (distance) C4'-P energy: -125.072 bonds (distance) P-C4' energy: -129.447 flat angles C4'-P-C4' energy: -151.094 flat angles P-C4'-P energy: -87.581 tors. eta vs tors. theta energy: -209.087 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: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2471.045319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.045319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.045319 (E_RNA) where: Base-Base interactions energy: -1784.952 where: short stacking energy: -685.936 Base-Backbone interact. energy: 0.260 local terms energy: -686.353248 where: bonds (distance) C4'-P energy: -129.433 bonds (distance) P-C4' energy: -118.413 flat angles C4'-P-C4' energy: -148.737 flat angles P-C4'-P energy: -93.829 tors. eta vs tors. theta energy: -195.942 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: 123 Temperature: 1.000000 Total energy: -2459.423979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.423979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.423979 (E_RNA) where: Base-Base interactions energy: -1754.849 where: short stacking energy: -677.176 Base-Backbone interact. energy: -2.686 local terms energy: -701.888797 where: bonds (distance) C4'-P energy: -125.612 bonds (distance) P-C4' energy: -137.477 flat angles C4'-P-C4' energy: -133.583 flat angles P-C4'-P energy: -103.326 tors. eta vs tors. theta energy: -201.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2376.901986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.901986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.901986 (E_RNA) where: Base-Base interactions energy: -1718.576 where: short stacking energy: -677.981 Base-Backbone interact. energy: -0.803 local terms energy: -657.523217 where: bonds (distance) C4'-P energy: -118.170 bonds (distance) P-C4' energy: -118.629 flat angles C4'-P-C4' energy: -138.121 flat angles P-C4'-P energy: -85.007 tors. eta vs tors. theta energy: -197.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2347.845700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.845700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.845700 (E_RNA) where: Base-Base interactions energy: -1707.865 where: short stacking energy: -647.566 Base-Backbone interact. energy: -1.705 local terms energy: -638.276211 where: bonds (distance) C4'-P energy: -110.079 bonds (distance) P-C4' energy: -107.516 flat angles C4'-P-C4' energy: -142.872 flat angles P-C4'-P energy: -90.775 tors. eta vs tors. theta energy: -187.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2266.988613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.988613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.988613 (E_RNA) where: Base-Base interactions energy: -1639.793 where: short stacking energy: -650.492 Base-Backbone interact. energy: -1.890 local terms energy: -625.306102 where: bonds (distance) C4'-P energy: -117.908 bonds (distance) P-C4' energy: -97.480 flat angles C4'-P-C4' energy: -139.841 flat angles P-C4'-P energy: -87.658 tors. eta vs tors. theta energy: -182.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2131.967529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.967529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.967529 (E_RNA) where: Base-Base interactions energy: -1526.973 where: short stacking energy: -582.106 Base-Backbone interact. energy: 4.994 local terms energy: -609.988635 where: bonds (distance) C4'-P energy: -107.877 bonds (distance) P-C4' energy: -123.064 flat angles C4'-P-C4' energy: -131.920 flat angles P-C4'-P energy: -74.068 tors. eta vs tors. theta energy: -173.059 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: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -2020.689858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.689858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.689858 (E_RNA) where: Base-Base interactions energy: -1440.903 where: short stacking energy: -543.974 Base-Backbone interact. energy: -0.489 local terms energy: -579.297886 where: bonds (distance) C4'-P energy: -104.579 bonds (distance) P-C4' energy: -109.530 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -169.189 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: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1871.160438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.160438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.160438 (E_RNA) where: Base-Base interactions energy: -1340.376 where: short stacking energy: -517.963 Base-Backbone interact. energy: -0.410 local terms energy: -530.375040 where: bonds (distance) C4'-P energy: -93.792 bonds (distance) P-C4' energy: -104.345 flat angles C4'-P-C4' energy: -116.581 flat angles P-C4'-P energy: -81.092 tors. eta vs tors. theta energy: -134.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1842.988164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.988164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.988164 (E_RNA) where: Base-Base interactions energy: -1319.502 where: short stacking energy: -523.088 Base-Backbone interact. energy: 1.383 local terms energy: -524.868555 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -100.250 flat angles C4'-P-C4' energy: -113.964 flat angles P-C4'-P energy: -64.843 tors. eta vs tors. theta energy: -144.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2581.744593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.744593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.744593 (E_RNA) where: Base-Base interactions energy: -1887.680 where: short stacking energy: -734.943 Base-Backbone interact. energy: 1.886 local terms energy: -695.951377 where: bonds (distance) C4'-P energy: -128.919 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -141.830 flat angles P-C4'-P energy: -94.416 tors. eta vs tors. theta energy: -205.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2462.426862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.426862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.426862 (E_RNA) where: Base-Base interactions energy: -1790.218 where: short stacking energy: -712.367 Base-Backbone interact. energy: -1.240 local terms energy: -670.968514 where: bonds (distance) C4'-P energy: -117.677 bonds (distance) P-C4' energy: -111.802 flat angles C4'-P-C4' energy: -142.385 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -201.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2457.784685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.784685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.784685 (E_RNA) where: Base-Base interactions energy: -1781.159 where: short stacking energy: -689.165 Base-Backbone interact. energy: -1.904 local terms energy: -674.721696 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -121.966 flat angles C4'-P-C4' energy: -141.423 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -209.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2367.963064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.963064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.963064 (E_RNA) where: Base-Base interactions energy: -1727.256 where: short stacking energy: -680.334 Base-Backbone interact. energy: 2.437 local terms energy: -643.144223 where: bonds (distance) C4'-P energy: -108.311 bonds (distance) P-C4' energy: -110.755 flat angles C4'-P-C4' energy: -135.045 flat angles P-C4'-P energy: -95.917 tors. eta vs tors. theta energy: -193.116 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: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2346.273396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.273396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.273396 (E_RNA) where: Base-Base interactions energy: -1689.796 where: short stacking energy: -651.073 Base-Backbone interact. energy: -1.027 local terms energy: -655.449997 where: bonds (distance) C4'-P energy: -124.286 bonds (distance) P-C4' energy: -108.406 flat angles C4'-P-C4' energy: -144.508 flat angles P-C4'-P energy: -85.920 tors. eta vs tors. theta energy: -192.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2236.805869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.805869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.805869 (E_RNA) where: Base-Base interactions energy: -1624.562 where: short stacking energy: -600.543 Base-Backbone interact. energy: -0.947 local terms energy: -611.296550 where: bonds (distance) C4'-P energy: -106.270 bonds (distance) P-C4' energy: -119.304 flat angles C4'-P-C4' energy: -131.858 flat angles P-C4'-P energy: -80.022 tors. eta vs tors. theta energy: -173.842 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: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2113.077188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.077188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.077188 (E_RNA) where: Base-Base interactions energy: -1511.617 where: short stacking energy: -594.246 Base-Backbone interact. energy: -1.218 local terms energy: -600.242274 where: bonds (distance) C4'-P energy: -106.347 bonds (distance) P-C4' energy: -101.117 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -90.473 tors. eta vs tors. theta energy: -166.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -2118.897870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.897870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.897870 (E_RNA) where: Base-Base interactions energy: -1509.204 where: short stacking energy: -573.378 Base-Backbone interact. energy: -1.399 local terms energy: -608.294910 where: bonds (distance) C4'-P energy: -97.746 bonds (distance) P-C4' energy: -119.967 flat angles C4'-P-C4' energy: -135.292 flat angles P-C4'-P energy: -81.238 tors. eta vs tors. theta energy: -174.052 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: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1856.639205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.639205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.639205 (E_RNA) where: Base-Base interactions energy: -1302.944 where: short stacking energy: -527.751 Base-Backbone interact. energy: 0.333 local terms energy: -554.028206 where: bonds (distance) C4'-P energy: -109.355 bonds (distance) P-C4' energy: -115.442 flat angles C4'-P-C4' energy: -120.298 flat angles P-C4'-P energy: -77.650 tors. eta vs tors. theta energy: -131.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1844.240910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.240910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.240910 (E_RNA) where: Base-Base interactions energy: -1330.519 where: short stacking energy: -515.770 Base-Backbone interact. energy: 4.452 local terms energy: -518.173516 where: bonds (distance) C4'-P energy: -92.554 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -72.840 tors. eta vs tors. theta energy: -138.687 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: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2586.627082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.627082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.627082 (E_RNA) where: Base-Base interactions energy: -1892.503 where: short stacking energy: -719.853 Base-Backbone interact. energy: -2.704 local terms energy: -691.420395 where: bonds (distance) C4'-P energy: -130.141 bonds (distance) P-C4' energy: -126.583 flat angles C4'-P-C4' energy: -142.127 flat angles P-C4'-P energy: -88.171 tors. eta vs tors. theta energy: -204.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2506.827004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.827004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.827004 (E_RNA) where: Base-Base interactions energy: -1801.100 where: short stacking energy: -688.755 Base-Backbone interact. energy: 0.582 local terms energy: -706.308532 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -129.879 flat angles C4'-P-C4' energy: -143.103 flat angles P-C4'-P energy: -104.477 tors. eta vs tors. theta energy: -202.425 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: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2491.758160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.758160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.758160 (E_RNA) where: Base-Base interactions energy: -1802.257 where: short stacking energy: -708.305 Base-Backbone interact. energy: -3.145 local terms energy: -686.356745 where: bonds (distance) C4'-P energy: -106.401 bonds (distance) P-C4' energy: -129.676 flat angles C4'-P-C4' energy: -145.116 flat angles P-C4'-P energy: -93.219 tors. eta vs tors. theta energy: -211.946 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: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2416.213902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.213902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.213902 (E_RNA) where: Base-Base interactions energy: -1730.974 where: short stacking energy: -675.149 Base-Backbone interact. energy: -0.460 local terms energy: -684.779886 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -126.381 flat angles C4'-P-C4' energy: -137.907 flat angles P-C4'-P energy: -108.573 tors. eta vs tors. theta energy: -197.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2329.414626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.414626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.414626 (E_RNA) where: Base-Base interactions energy: -1688.694 where: short stacking energy: -667.778 Base-Backbone interact. energy: 1.590 local terms energy: -642.310239 where: bonds (distance) C4'-P energy: -109.082 bonds (distance) P-C4' energy: -118.577 flat angles C4'-P-C4' energy: -128.285 flat angles P-C4'-P energy: -90.593 tors. eta vs tors. theta energy: -195.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2227.149226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.149226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.149226 (E_RNA) where: Base-Base interactions energy: -1601.867 where: short stacking energy: -606.610 Base-Backbone interact. energy: -0.510 local terms energy: -624.771993 where: bonds (distance) C4'-P energy: -105.343 bonds (distance) P-C4' energy: -112.320 flat angles C4'-P-C4' energy: -134.529 flat angles P-C4'-P energy: -96.826 tors. eta vs tors. theta energy: -175.755 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: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2133.206514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.206514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.206514 (E_RNA) where: Base-Base interactions energy: -1551.320 where: short stacking energy: -607.288 Base-Backbone interact. energy: -2.327 local terms energy: -579.560374 where: bonds (distance) C4'-P energy: -115.248 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -113.982 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -180.385 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: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -2094.420412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.420412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.420412 (E_RNA) where: Base-Base interactions energy: -1511.766 where: short stacking energy: -601.152 Base-Backbone interact. energy: -3.939 local terms energy: -578.716125 where: bonds (distance) C4'-P energy: -112.264 bonds (distance) P-C4' energy: -92.169 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -78.414 tors. eta vs tors. theta energy: -171.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1860.157346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.157346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.157346 (E_RNA) where: Base-Base interactions energy: -1327.052 where: short stacking energy: -514.759 Base-Backbone interact. energy: 0.312 local terms energy: -533.416651 where: bonds (distance) C4'-P energy: -111.792 bonds (distance) P-C4' energy: -104.878 flat angles C4'-P-C4' energy: -121.677 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -129.231 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1783.312137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.312137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.312137 (E_RNA) where: Base-Base interactions energy: -1293.249 where: short stacking energy: -502.380 Base-Backbone interact. energy: -0.988 local terms energy: -489.074473 where: bonds (distance) C4'-P energy: -93.149 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -106.771 flat angles P-C4'-P energy: -55.425 tors. eta vs tors. theta energy: -139.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2602.536784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.536784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.536784 (E_RNA) where: Base-Base interactions energy: -1901.529 where: short stacking energy: -732.313 Base-Backbone interact. energy: -1.104 local terms energy: -699.903548 where: bonds (distance) C4'-P energy: -123.627 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -146.149 flat angles P-C4'-P energy: -98.033 tors. eta vs tors. theta energy: -208.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2457.205868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.205868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.205868 (E_RNA) where: Base-Base interactions energy: -1771.894 where: short stacking energy: -700.173 Base-Backbone interact. energy: -2.113 local terms energy: -683.198320 where: bonds (distance) C4'-P energy: -126.441 bonds (distance) P-C4' energy: -108.295 flat angles C4'-P-C4' energy: -151.665 flat angles P-C4'-P energy: -101.885 tors. eta vs tors. theta energy: -194.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2475.159643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.159643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.159643 (E_RNA) where: Base-Base interactions energy: -1788.544 where: short stacking energy: -683.436 Base-Backbone interact. energy: 3.909 local terms energy: -690.524604 where: bonds (distance) C4'-P energy: -108.981 bonds (distance) P-C4' energy: -125.139 flat angles C4'-P-C4' energy: -152.055 flat angles P-C4'-P energy: -102.092 tors. eta vs tors. theta energy: -202.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2385.240737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.240737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.240737 (E_RNA) where: Base-Base interactions energy: -1728.101 where: short stacking energy: -701.513 Base-Backbone interact. energy: -0.574 local terms energy: -656.565618 where: bonds (distance) C4'-P energy: -106.820 bonds (distance) P-C4' energy: -113.686 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -204.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2365.829844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.829844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.829844 (E_RNA) where: Base-Base interactions energy: -1709.525 where: short stacking energy: -694.340 Base-Backbone interact. energy: -1.031 local terms energy: -655.273367 where: bonds (distance) C4'-P energy: -114.187 bonds (distance) P-C4' energy: -107.681 flat angles C4'-P-C4' energy: -139.408 flat angles P-C4'-P energy: -87.753 tors. eta vs tors. theta energy: -206.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2229.136839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.136839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.136839 (E_RNA) where: Base-Base interactions energy: -1648.327 where: short stacking energy: -626.716 Base-Backbone interact. energy: 2.226 local terms energy: -583.035355 where: bonds (distance) C4'-P energy: -107.797 bonds (distance) P-C4' energy: -99.999 flat angles C4'-P-C4' energy: -122.961 flat angles P-C4'-P energy: -79.327 tors. eta vs tors. theta energy: -172.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2140.890460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.890460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.890460 (E_RNA) where: Base-Base interactions energy: -1544.473 where: short stacking energy: -597.304 Base-Backbone interact. energy: 0.936 local terms energy: -597.353764 where: bonds (distance) C4'-P energy: -104.250 bonds (distance) P-C4' energy: -110.430 flat angles C4'-P-C4' energy: -125.923 flat angles P-C4'-P energy: -78.495 tors. eta vs tors. theta energy: -178.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -2041.897512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.897512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.897512 (E_RNA) where: Base-Base interactions energy: -1468.035 where: short stacking energy: -566.584 Base-Backbone interact. energy: -0.465 local terms energy: -573.398049 where: bonds (distance) C4'-P energy: -99.892 bonds (distance) P-C4' energy: -96.135 flat angles C4'-P-C4' energy: -122.699 flat angles P-C4'-P energy: -84.666 tors. eta vs tors. theta energy: -170.006 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: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1868.509933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.509933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.509933 (E_RNA) where: Base-Base interactions energy: -1336.164 where: short stacking energy: -523.213 Base-Backbone interact. energy: -3.480 local terms energy: -528.865491 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -98.297 flat angles C4'-P-C4' energy: -126.200 flat angles P-C4'-P energy: -84.437 tors. eta vs tors. theta energy: -143.886 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: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1756.201367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.201367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.201367 (E_RNA) where: Base-Base interactions energy: -1255.627 where: short stacking energy: -475.149 Base-Backbone interact. energy: -0.025 local terms energy: -500.550019 where: bonds (distance) C4'-P energy: -98.548 bonds (distance) P-C4' energy: -107.071 flat angles C4'-P-C4' energy: -114.164 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -110.032 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: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2616.657633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.657633 (E_RNA) where: Base-Base interactions energy: -1890.838 where: short stacking energy: -717.968 Base-Backbone interact. energy: 0.837 local terms energy: -726.656264 where: bonds (distance) C4'-P energy: -129.427 bonds (distance) P-C4' energy: -134.565 flat angles C4'-P-C4' energy: -153.063 flat angles P-C4'-P energy: -103.392 tors. eta vs tors. theta energy: -206.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2525.997878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.997878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.997878 (E_RNA) where: Base-Base interactions energy: -1830.819 where: short stacking energy: -713.485 Base-Backbone interact. energy: -5.618 local terms energy: -689.561040 where: bonds (distance) C4'-P energy: -111.435 bonds (distance) P-C4' energy: -132.783 flat angles C4'-P-C4' energy: -143.846 flat angles P-C4'-P energy: -93.120 tors. eta vs tors. theta energy: -208.377 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: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2432.180119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.180119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.180119 (E_RNA) where: Base-Base interactions energy: -1761.365 where: short stacking energy: -689.155 Base-Backbone interact. energy: -2.488 local terms energy: -668.327114 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -123.824 flat angles C4'-P-C4' energy: -137.690 flat angles P-C4'-P energy: -94.406 tors. eta vs tors. theta energy: -198.163 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: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2395.724408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.724408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.724408 (E_RNA) where: Base-Base interactions energy: -1746.615 where: short stacking energy: -694.710 Base-Backbone interact. energy: -0.837 local terms energy: -648.272204 where: bonds (distance) C4'-P energy: -107.480 bonds (distance) P-C4' energy: -108.094 flat angles C4'-P-C4' energy: -142.847 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -201.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2332.052920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.052920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.052920 (E_RNA) where: Base-Base interactions energy: -1703.175 where: short stacking energy: -679.890 Base-Backbone interact. energy: 0.362 local terms energy: -629.240640 where: bonds (distance) C4'-P energy: -127.234 bonds (distance) P-C4' energy: -122.560 flat angles C4'-P-C4' energy: -113.063 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -193.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2194.482103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.482103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.482103 (E_RNA) where: Base-Base interactions energy: -1581.151 where: short stacking energy: -622.741 Base-Backbone interact. energy: -0.815 local terms energy: -612.515423 where: bonds (distance) C4'-P energy: -105.807 bonds (distance) P-C4' energy: -109.364 flat angles C4'-P-C4' energy: -123.946 flat angles P-C4'-P energy: -90.932 tors. eta vs tors. theta energy: -182.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2161.814067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.814067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.814067 (E_RNA) where: Base-Base interactions energy: -1572.535 where: short stacking energy: -598.986 Base-Backbone interact. energy: -0.340 local terms energy: -588.939268 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -94.634 flat angles C4'-P-C4' energy: -130.942 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -173.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -2041.770286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.770286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.770286 (E_RNA) where: Base-Base interactions energy: -1491.957 where: short stacking energy: -599.144 Base-Backbone interact. energy: -0.837 local terms energy: -548.976582 where: bonds (distance) C4'-P energy: -93.772 bonds (distance) P-C4' energy: -78.411 flat angles C4'-P-C4' energy: -125.633 flat angles P-C4'-P energy: -80.432 tors. eta vs tors. theta energy: -170.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1921.312643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.312643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.312643 (E_RNA) where: Base-Base interactions energy: -1388.208 where: short stacking energy: -573.202 Base-Backbone interact. energy: -0.591 local terms energy: -532.514476 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -101.503 flat angles C4'-P-C4' energy: -112.199 flat angles P-C4'-P energy: -75.957 tors. eta vs tors. theta energy: -154.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1649.251725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.251725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.251725 (E_RNA) where: Base-Base interactions energy: -1160.532 where: short stacking energy: -453.886 Base-Backbone interact. energy: -1.584 local terms energy: -487.135393 where: bonds (distance) C4'-P energy: -86.147 bonds (distance) P-C4' energy: -83.650 flat angles C4'-P-C4' energy: -123.399 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -129.259 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: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2622.723333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.723333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.723333 (E_RNA) where: Base-Base interactions energy: -1923.676 where: short stacking energy: -726.101 Base-Backbone interact. energy: -1.430 local terms energy: -697.616754 where: bonds (distance) C4'-P energy: -133.498 bonds (distance) P-C4' energy: -125.359 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -90.738 tors. eta vs tors. theta energy: -210.493 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: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2539.738841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.738841 (E_RNA) where: Base-Base interactions energy: -1835.741 where: short stacking energy: -722.055 Base-Backbone interact. energy: -1.695 local terms energy: -702.303735 where: bonds (distance) C4'-P energy: -122.649 bonds (distance) P-C4' energy: -114.446 flat angles C4'-P-C4' energy: -148.902 flat angles P-C4'-P energy: -103.194 tors. eta vs tors. theta energy: -213.113 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: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2424.861949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.861949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.861949 (E_RNA) where: Base-Base interactions energy: -1762.416 where: short stacking energy: -684.345 Base-Backbone interact. energy: -1.780 local terms energy: -660.666361 where: bonds (distance) C4'-P energy: -117.836 bonds (distance) P-C4' energy: -105.912 flat angles C4'-P-C4' energy: -143.823 flat angles P-C4'-P energy: -95.556 tors. eta vs tors. theta energy: -197.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2409.139077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.139077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.139077 (E_RNA) where: Base-Base interactions energy: -1745.284 where: short stacking energy: -672.170 Base-Backbone interact. energy: -2.036 local terms energy: -661.818663 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -116.064 flat angles C4'-P-C4' energy: -147.669 flat angles P-C4'-P energy: -91.061 tors. eta vs tors. theta energy: -192.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2340.304407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.304407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.304407 (E_RNA) where: Base-Base interactions energy: -1673.388 where: short stacking energy: -672.412 Base-Backbone interact. energy: -1.063 local terms energy: -665.852958 where: bonds (distance) C4'-P energy: -112.237 bonds (distance) P-C4' energy: -111.740 flat angles C4'-P-C4' energy: -138.327 flat angles P-C4'-P energy: -100.538 tors. eta vs tors. theta energy: -203.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2185.497432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.497432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.497432 (E_RNA) where: Base-Base interactions energy: -1567.259 where: short stacking energy: -607.810 Base-Backbone interact. energy: -2.003 local terms energy: -616.235471 where: bonds (distance) C4'-P energy: -111.904 bonds (distance) P-C4' energy: -109.958 flat angles C4'-P-C4' energy: -133.555 flat angles P-C4'-P energy: -81.076 tors. eta vs tors. theta energy: -179.743 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: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2157.213556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.213556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.213556 (E_RNA) where: Base-Base interactions energy: -1570.541 where: short stacking energy: -595.240 Base-Backbone interact. energy: 0.907 local terms energy: -587.579526 where: bonds (distance) C4'-P energy: -102.155 bonds (distance) P-C4' energy: -117.838 flat angles C4'-P-C4' energy: -116.731 flat angles P-C4'-P energy: -76.192 tors. eta vs tors. theta energy: -174.664 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -2102.365383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.365383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.365383 (E_RNA) where: Base-Base interactions energy: -1528.705 where: short stacking energy: -591.471 Base-Backbone interact. energy: -0.183 local terms energy: -573.477486 where: bonds (distance) C4'-P energy: -100.989 bonds (distance) P-C4' energy: -107.552 flat angles C4'-P-C4' energy: -118.492 flat angles P-C4'-P energy: -82.764 tors. eta vs tors. theta energy: -163.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1893.959780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.959780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.959780 (E_RNA) where: Base-Base interactions energy: -1337.032 where: short stacking energy: -533.094 Base-Backbone interact. energy: -0.036 local terms energy: -556.891390 where: bonds (distance) C4'-P energy: -101.643 bonds (distance) P-C4' energy: -96.335 flat angles C4'-P-C4' energy: -129.933 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -144.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1637.539504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.539504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.539504 (E_RNA) where: Base-Base interactions energy: -1171.390 where: short stacking energy: -449.667 Base-Backbone interact. energy: -2.133 local terms energy: -464.017123 where: bonds (distance) C4'-P energy: -80.008 bonds (distance) P-C4' energy: -111.187 flat angles C4'-P-C4' energy: -103.154 flat angles P-C4'-P energy: -66.558 tors. eta vs tors. theta energy: -103.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2617.286246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.286246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.286246 (E_RNA) where: Base-Base interactions energy: -1896.047 where: short stacking energy: -737.866 Base-Backbone interact. energy: -1.740 local terms energy: -719.498963 where: bonds (distance) C4'-P energy: -127.537 bonds (distance) P-C4' energy: -122.362 flat angles C4'-P-C4' energy: -155.417 flat angles P-C4'-P energy: -95.861 tors. eta vs tors. theta energy: -218.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2544.479009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.479009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.479009 (E_RNA) where: Base-Base interactions energy: -1844.806 where: short stacking energy: -711.818 Base-Backbone interact. energy: -2.366 local terms energy: -697.306967 where: bonds (distance) C4'-P energy: -114.076 bonds (distance) P-C4' energy: -121.074 flat angles C4'-P-C4' energy: -151.193 flat angles P-C4'-P energy: -100.530 tors. eta vs tors. theta energy: -210.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2403.112164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.112164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.112164 (E_RNA) where: Base-Base interactions energy: -1740.232 where: short stacking energy: -682.450 Base-Backbone interact. energy: -1.391 local terms energy: -661.488517 where: bonds (distance) C4'-P energy: -105.393 bonds (distance) P-C4' energy: -123.767 flat angles C4'-P-C4' energy: -132.052 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -204.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2373.112797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.112797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.112797 (E_RNA) where: Base-Base interactions energy: -1736.131 where: short stacking energy: -691.468 Base-Backbone interact. energy: -2.312 local terms energy: -634.670763 where: bonds (distance) C4'-P energy: -107.188 bonds (distance) P-C4' energy: -90.154 flat angles C4'-P-C4' energy: -144.501 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -198.250 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: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2370.895752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.895752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.895752 (E_RNA) where: Base-Base interactions energy: -1719.105 where: short stacking energy: -683.045 Base-Backbone interact. energy: -0.017 local terms energy: -651.773862 where: bonds (distance) C4'-P energy: -104.689 bonds (distance) P-C4' energy: -120.882 flat angles C4'-P-C4' energy: -133.421 flat angles P-C4'-P energy: -94.797 tors. eta vs tors. theta energy: -197.984 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: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2238.954497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.954497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.954497 (E_RNA) where: Base-Base interactions energy: -1623.691 where: short stacking energy: -611.024 Base-Backbone interact. energy: 1.789 local terms energy: -617.053366 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -103.317 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -88.665 tors. eta vs tors. theta energy: -181.047 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: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -2149.563060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.563060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.563060 (E_RNA) where: Base-Base interactions energy: -1538.452 where: short stacking energy: -603.394 Base-Backbone interact. energy: -0.582 local terms energy: -610.529159 where: bonds (distance) C4'-P energy: -107.640 bonds (distance) P-C4' energy: -100.591 flat angles C4'-P-C4' energy: -136.874 flat angles P-C4'-P energy: -87.818 tors. eta vs tors. theta energy: -177.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -2029.273332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.273332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.273332 (E_RNA) where: Base-Base interactions energy: -1469.563 where: short stacking energy: -578.748 Base-Backbone interact. energy: -0.485 local terms energy: -559.225431 where: bonds (distance) C4'-P energy: -101.259 bonds (distance) P-C4' energy: -97.798 flat angles C4'-P-C4' energy: -121.862 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -167.167 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: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1880.311653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.311653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.311653 (E_RNA) where: Base-Base interactions energy: -1357.431 where: short stacking energy: -530.862 Base-Backbone interact. energy: -1.688 local terms energy: -521.192301 where: bonds (distance) C4'-P energy: -97.664 bonds (distance) P-C4' energy: -90.129 flat angles C4'-P-C4' energy: -115.712 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -142.656 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: 129 Temperature: 1.350000 Total energy: -1653.656951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.656951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.656951 (E_RNA) where: Base-Base interactions energy: -1163.180 where: short stacking energy: -427.553 Base-Backbone interact. energy: -2.595 local terms energy: -487.882469 where: bonds (distance) C4'-P energy: -91.846 bonds (distance) P-C4' energy: -100.541 flat angles C4'-P-C4' energy: -108.263 flat angles P-C4'-P energy: -80.176 tors. eta vs tors. theta energy: -107.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2625.214541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.214541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.214541 (E_RNA) where: Base-Base interactions energy: -1908.891 where: short stacking energy: -735.422 Base-Backbone interact. energy: -1.802 local terms energy: -714.520991 where: bonds (distance) C4'-P energy: -119.046 bonds (distance) P-C4' energy: -126.291 flat angles C4'-P-C4' energy: -154.041 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -213.955 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: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2562.720907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.720907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.720907 (E_RNA) where: Base-Base interactions energy: -1873.139 where: short stacking energy: -742.547 Base-Backbone interact. energy: -2.469 local terms energy: -687.112446 where: bonds (distance) C4'-P energy: -100.394 bonds (distance) P-C4' energy: -116.736 flat angles C4'-P-C4' energy: -148.657 flat angles P-C4'-P energy: -107.907 tors. eta vs tors. theta energy: -213.419 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: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2418.067396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.067396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.067396 (E_RNA) where: Base-Base interactions energy: -1733.167 where: short stacking energy: -687.232 Base-Backbone interact. energy: -2.017 local terms energy: -682.883456 where: bonds (distance) C4'-P energy: -118.225 bonds (distance) P-C4' energy: -111.197 flat angles C4'-P-C4' energy: -144.548 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -200.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2336.202507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.202507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.202507 (E_RNA) where: Base-Base interactions energy: -1711.670 where: short stacking energy: -656.398 Base-Backbone interact. energy: -0.411 local terms energy: -624.121902 where: bonds (distance) C4'-P energy: -90.811 bonds (distance) P-C4' energy: -106.899 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -98.180 tors. eta vs tors. theta energy: -185.990 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: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2331.562042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.562042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.562042 (E_RNA) where: Base-Base interactions energy: -1705.652 where: short stacking energy: -667.194 Base-Backbone interact. energy: -2.918 local terms energy: -622.991691 where: bonds (distance) C4'-P energy: -106.337 bonds (distance) P-C4' energy: -105.225 flat angles C4'-P-C4' energy: -131.978 flat angles P-C4'-P energy: -90.536 tors. eta vs tors. theta energy: -188.916 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2232.953502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.953502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.953502 (E_RNA) where: Base-Base interactions energy: -1606.867 where: short stacking energy: -613.316 Base-Backbone interact. energy: 3.270 local terms energy: -629.356004 where: bonds (distance) C4'-P energy: -113.895 bonds (distance) P-C4' energy: -106.756 flat angles C4'-P-C4' energy: -138.147 flat angles P-C4'-P energy: -96.158 tors. eta vs tors. theta energy: -174.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2143.220901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.220901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.220901 (E_RNA) where: Base-Base interactions energy: -1544.380 where: short stacking energy: -593.698 Base-Backbone interact. energy: -2.560 local terms energy: -596.280943 where: bonds (distance) C4'-P energy: -119.052 bonds (distance) P-C4' energy: -104.532 flat angles C4'-P-C4' energy: -136.484 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -171.629 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: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -2028.367510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.367510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.367510 (E_RNA) where: Base-Base interactions energy: -1444.079 where: short stacking energy: -567.692 Base-Backbone interact. energy: -0.626 local terms energy: -583.663069 where: bonds (distance) C4'-P energy: -111.841 bonds (distance) P-C4' energy: -113.515 flat angles C4'-P-C4' energy: -120.036 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -166.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1927.599286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.599286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.599286 (E_RNA) where: Base-Base interactions energy: -1379.769 where: short stacking energy: -557.473 Base-Backbone interact. energy: 2.161 local terms energy: -549.990794 where: bonds (distance) C4'-P energy: -90.253 bonds (distance) P-C4' energy: -100.858 flat angles C4'-P-C4' energy: -122.582 flat angles P-C4'-P energy: -85.820 tors. eta vs tors. theta energy: -150.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1523.619143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.619143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.619143 (E_RNA) where: Base-Base interactions energy: -1068.637 where: short stacking energy: -437.214 Base-Backbone interact. energy: 4.545 local terms energy: -459.526870 where: bonds (distance) C4'-P energy: -81.853 bonds (distance) P-C4' energy: -97.101 flat angles C4'-P-C4' energy: -100.471 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: -108.632 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: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2593.037143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.037143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.037143 (E_RNA) where: Base-Base interactions energy: -1883.743 where: short stacking energy: -727.190 Base-Backbone interact. energy: 0.657 local terms energy: -709.951595 where: bonds (distance) C4'-P energy: -131.166 bonds (distance) P-C4' energy: -124.417 flat angles C4'-P-C4' energy: -149.818 flat angles P-C4'-P energy: -96.432 tors. eta vs tors. theta energy: -208.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2536.004646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.004646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.004646 (E_RNA) where: Base-Base interactions energy: -1842.226 where: short stacking energy: -705.200 Base-Backbone interact. energy: -1.206 local terms energy: -692.572120 where: bonds (distance) C4'-P energy: -111.938 bonds (distance) P-C4' energy: -119.441 flat angles C4'-P-C4' energy: -149.298 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -203.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2420.075388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.075388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.075388 (E_RNA) where: Base-Base interactions energy: -1740.715 where: short stacking energy: -696.491 Base-Backbone interact. energy: -0.509 local terms energy: -678.851254 where: bonds (distance) C4'-P energy: -124.435 bonds (distance) P-C4' energy: -123.631 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -82.644 tors. eta vs tors. theta energy: -205.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2376.039797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.039797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.039797 (E_RNA) where: Base-Base interactions energy: -1717.755 where: short stacking energy: -689.076 Base-Backbone interact. energy: -1.593 local terms energy: -656.691649 where: bonds (distance) C4'-P energy: -112.123 bonds (distance) P-C4' energy: -112.055 flat angles C4'-P-C4' energy: -138.950 flat angles P-C4'-P energy: -92.273 tors. eta vs tors. theta energy: -201.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2311.073316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.073316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.073316 (E_RNA) where: Base-Base interactions energy: -1683.604 where: short stacking energy: -650.198 Base-Backbone interact. energy: 2.768 local terms energy: -630.236745 where: bonds (distance) C4'-P energy: -116.695 bonds (distance) P-C4' energy: -102.887 flat angles C4'-P-C4' energy: -139.051 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -187.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2245.986431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.986431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.986431 (E_RNA) where: Base-Base interactions energy: -1611.369 where: short stacking energy: -620.973 Base-Backbone interact. energy: -1.743 local terms energy: -632.874065 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -111.643 flat angles C4'-P-C4' energy: -132.461 flat angles P-C4'-P energy: -93.327 tors. eta vs tors. theta energy: -182.906 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: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2115.570605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.570605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.570605 (E_RNA) where: Base-Base interactions energy: -1519.904 where: short stacking energy: -595.764 Base-Backbone interact. energy: -1.690 local terms energy: -593.976542 where: bonds (distance) C4'-P energy: -100.380 bonds (distance) P-C4' energy: -94.393 flat angles C4'-P-C4' energy: -128.289 flat angles P-C4'-P energy: -84.057 tors. eta vs tors. theta energy: -186.858 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: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1968.630210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.630210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.630210 (E_RNA) where: Base-Base interactions energy: -1394.252 where: short stacking energy: -538.053 Base-Backbone interact. energy: -1.540 local terms energy: -572.837614 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -106.826 flat angles C4'-P-C4' energy: -123.834 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -154.242 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: 131 Temperature: 1.300000 Total energy: -1989.048799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.048799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.048799 (E_RNA) where: Base-Base interactions energy: -1470.214 where: short stacking energy: -556.239 Base-Backbone interact. energy: -1.233 local terms energy: -517.602288 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -84.639 flat angles C4'-P-C4' energy: -121.920 flat angles P-C4'-P energy: -68.151 tors. eta vs tors. theta energy: -152.494 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: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1614.764437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.764437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.764437 (E_RNA) where: Base-Base interactions energy: -1141.838 where: short stacking energy: -461.149 Base-Backbone interact. energy: -1.934 local terms energy: -470.992560 where: bonds (distance) C4'-P energy: -100.950 bonds (distance) P-C4' energy: -85.025 flat angles C4'-P-C4' energy: -111.502 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -109.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2575.153401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.153401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.153401 (E_RNA) where: Base-Base interactions energy: -1871.123 where: short stacking energy: -720.645 Base-Backbone interact. energy: 2.695 local terms energy: -706.725704 where: bonds (distance) C4'-P energy: -121.401 bonds (distance) P-C4' energy: -121.591 flat angles C4'-P-C4' energy: -153.546 flat angles P-C4'-P energy: -94.937 tors. eta vs tors. theta energy: -215.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2588.043610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.043610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.043610 (E_RNA) where: Base-Base interactions energy: -1892.707 where: short stacking energy: -719.684 Base-Backbone interact. energy: -1.692 local terms energy: -693.644173 where: bonds (distance) C4'-P energy: -113.894 bonds (distance) P-C4' energy: -118.203 flat angles C4'-P-C4' energy: -147.703 flat angles P-C4'-P energy: -105.541 tors. eta vs tors. theta energy: -208.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2421.651923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.651923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.651923 (E_RNA) where: Base-Base interactions energy: -1716.872 where: short stacking energy: -678.724 Base-Backbone interact. energy: -1.169 local terms energy: -703.610948 where: bonds (distance) C4'-P energy: -130.007 bonds (distance) P-C4' energy: -125.621 flat angles C4'-P-C4' energy: -137.239 flat angles P-C4'-P energy: -103.673 tors. eta vs tors. theta energy: -207.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2398.305024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.305024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.305024 (E_RNA) where: Base-Base interactions energy: -1728.781 where: short stacking energy: -678.797 Base-Backbone interact. energy: -1.185 local terms energy: -668.339241 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -118.018 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -98.375 tors. eta vs tors. theta energy: -206.442 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: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2322.913765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.913765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.913765 (E_RNA) where: Base-Base interactions energy: -1662.975 where: short stacking energy: -646.525 Base-Backbone interact. energy: -1.742 local terms energy: -658.196738 where: bonds (distance) C4'-P energy: -111.397 bonds (distance) P-C4' energy: -123.105 flat angles C4'-P-C4' energy: -143.881 flat angles P-C4'-P energy: -90.130 tors. eta vs tors. theta energy: -189.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2224.252837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.252837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.252837 (E_RNA) where: Base-Base interactions energy: -1630.697 where: short stacking energy: -609.490 Base-Backbone interact. energy: -1.928 local terms energy: -591.628696 where: bonds (distance) C4'-P energy: -97.780 bonds (distance) P-C4' energy: -107.385 flat angles C4'-P-C4' energy: -129.694 flat angles P-C4'-P energy: -82.884 tors. eta vs tors. theta energy: -173.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2104.833940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.833940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.833940 (E_RNA) where: Base-Base interactions energy: -1489.987 where: short stacking energy: -580.390 Base-Backbone interact. energy: -2.056 local terms energy: -612.791511 where: bonds (distance) C4'-P energy: -92.540 bonds (distance) P-C4' energy: -127.741 flat angles C4'-P-C4' energy: -131.162 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -175.565 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: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1938.975421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.975421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.975421 (E_RNA) where: Base-Base interactions energy: -1368.433 where: short stacking energy: -555.624 Base-Backbone interact. energy: -1.143 local terms energy: -569.398690 where: bonds (distance) C4'-P energy: -93.993 bonds (distance) P-C4' energy: -108.591 flat angles C4'-P-C4' energy: -124.858 flat angles P-C4'-P energy: -85.613 tors. eta vs tors. theta energy: -156.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1963.939401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.939401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.939401 (E_RNA) where: Base-Base interactions energy: -1409.914 where: short stacking energy: -564.414 Base-Backbone interact. energy: 2.326 local terms energy: -556.351898 where: bonds (distance) C4'-P energy: -93.220 bonds (distance) P-C4' energy: -95.007 flat angles C4'-P-C4' energy: -125.054 flat angles P-C4'-P energy: -80.849 tors. eta vs tors. theta energy: -162.222 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: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1616.258632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.258632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.258632 (E_RNA) where: Base-Base interactions energy: -1136.751 where: short stacking energy: -469.234 Base-Backbone interact. energy: 8.179 local terms energy: -487.687200 where: bonds (distance) C4'-P energy: -96.666 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -107.012 flat angles P-C4'-P energy: -66.422 tors. eta vs tors. theta energy: -127.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2576.035026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.035026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.035026 (E_RNA) where: Base-Base interactions energy: -1866.338 where: short stacking energy: -719.308 Base-Backbone interact. energy: -2.108 local terms energy: -707.589416 where: bonds (distance) C4'-P energy: -121.168 bonds (distance) P-C4' energy: -122.115 flat angles C4'-P-C4' energy: -157.876 flat angles P-C4'-P energy: -95.669 tors. eta vs tors. theta energy: -210.761 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: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2562.845153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.845153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.845153 (E_RNA) where: Base-Base interactions energy: -1878.911 where: short stacking energy: -726.738 Base-Backbone interact. energy: -0.775 local terms energy: -683.159013 where: bonds (distance) C4'-P energy: -111.077 bonds (distance) P-C4' energy: -119.832 flat angles C4'-P-C4' energy: -145.669 flat angles P-C4'-P energy: -98.541 tors. eta vs tors. theta energy: -208.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2406.208185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.208185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.208185 (E_RNA) where: Base-Base interactions energy: -1729.802 where: short stacking energy: -682.780 Base-Backbone interact. energy: 4.149 local terms energy: -680.555111 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -130.368 flat angles C4'-P-C4' energy: -141.920 flat angles P-C4'-P energy: -92.682 tors. eta vs tors. theta energy: -196.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2440.031441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.031441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.031441 (E_RNA) where: Base-Base interactions energy: -1751.667 where: short stacking energy: -672.969 Base-Backbone interact. energy: -0.707 local terms energy: -687.657130 where: bonds (distance) C4'-P energy: -116.872 bonds (distance) P-C4' energy: -114.846 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -111.146 tors. eta vs tors. theta energy: -201.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2316.156282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.156282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.156282 (E_RNA) where: Base-Base interactions energy: -1696.768 where: short stacking energy: -654.219 Base-Backbone interact. energy: -0.703 local terms energy: -618.685083 where: bonds (distance) C4'-P energy: -81.834 bonds (distance) P-C4' energy: -115.429 flat angles C4'-P-C4' energy: -143.677 flat angles P-C4'-P energy: -89.971 tors. eta vs tors. theta energy: -187.775 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: 133 Temperature: 1.150000 Total energy: -2238.034510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.034510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.034510 (E_RNA) where: Base-Base interactions energy: -1650.309 where: short stacking energy: -627.131 Base-Backbone interact. energy: -0.628 local terms energy: -587.097651 where: bonds (distance) C4'-P energy: -92.401 bonds (distance) P-C4' energy: -108.629 flat angles C4'-P-C4' energy: -129.852 flat angles P-C4'-P energy: -86.525 tors. eta vs tors. theta energy: -169.691 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: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2111.137285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.137285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.137285 (E_RNA) where: Base-Base interactions energy: -1520.939 where: short stacking energy: -592.732 Base-Backbone interact. energy: -0.588 local terms energy: -589.610578 where: bonds (distance) C4'-P energy: -89.896 bonds (distance) P-C4' energy: -107.743 flat angles C4'-P-C4' energy: -136.961 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -167.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1929.875425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.875425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.875425 (E_RNA) where: Base-Base interactions energy: -1379.002 where: short stacking energy: -534.013 Base-Backbone interact. energy: -1.429 local terms energy: -549.444913 where: bonds (distance) C4'-P energy: -103.044 bonds (distance) P-C4' energy: -100.040 flat angles C4'-P-C4' energy: -127.736 flat angles P-C4'-P energy: -72.302 tors. eta vs tors. theta energy: -146.324 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: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1907.656223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.656223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.656223 (E_RNA) where: Base-Base interactions energy: -1360.423 where: short stacking energy: -556.140 Base-Backbone interact. energy: -0.921 local terms energy: -546.312580 where: bonds (distance) C4'-P energy: -94.262 bonds (distance) P-C4' energy: -101.361 flat angles C4'-P-C4' energy: -117.999 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -161.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1599.696671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.696671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.696671 (E_RNA) where: Base-Base interactions energy: -1114.308 where: short stacking energy: -441.989 Base-Backbone interact. energy: 0.828 local terms energy: -486.216943 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -95.943 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -104.819 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: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2608.297423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.297423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.297423 (E_RNA) where: Base-Base interactions energy: -1918.543 where: short stacking energy: -747.240 Base-Backbone interact. energy: -2.583 local terms energy: -687.171524 where: bonds (distance) C4'-P energy: -123.883 bonds (distance) P-C4' energy: -120.878 flat angles C4'-P-C4' energy: -144.964 flat angles P-C4'-P energy: -96.292 tors. eta vs tors. theta energy: -201.154 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: 134 Temperature: 0.950000 Total energy: -2560.369158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.369158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.369158 (E_RNA) where: Base-Base interactions energy: -1854.354 where: short stacking energy: -717.020 Base-Backbone interact. energy: 0.174 local terms energy: -706.188960 where: bonds (distance) C4'-P energy: -121.353 bonds (distance) P-C4' energy: -133.541 flat angles C4'-P-C4' energy: -138.520 flat angles P-C4'-P energy: -112.803 tors. eta vs tors. theta energy: -199.972 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: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2406.803746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.803746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.803746 (E_RNA) where: Base-Base interactions energy: -1721.786 where: short stacking energy: -695.893 Base-Backbone interact. energy: 2.295 local terms energy: -687.312368 where: bonds (distance) C4'-P energy: -108.994 bonds (distance) P-C4' energy: -131.463 flat angles C4'-P-C4' energy: -135.066 flat angles P-C4'-P energy: -108.867 tors. eta vs tors. theta energy: -202.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2389.152923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.152923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.152923 (E_RNA) where: Base-Base interactions energy: -1722.990 where: short stacking energy: -675.347 Base-Backbone interact. energy: -1.373 local terms energy: -664.790776 where: bonds (distance) C4'-P energy: -103.181 bonds (distance) P-C4' energy: -122.492 flat angles C4'-P-C4' energy: -145.744 flat angles P-C4'-P energy: -88.442 tors. eta vs tors. theta energy: -204.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2323.336910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.336910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.336910 (E_RNA) where: Base-Base interactions energy: -1701.944 where: short stacking energy: -666.579 Base-Backbone interact. energy: -1.100 local terms energy: -620.293439 where: bonds (distance) C4'-P energy: -109.544 bonds (distance) P-C4' energy: -105.867 flat angles C4'-P-C4' energy: -126.745 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -186.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2232.453333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.453333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.453333 (E_RNA) where: Base-Base interactions energy: -1632.725 where: short stacking energy: -626.149 Base-Backbone interact. energy: -1.908 local terms energy: -597.820594 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -104.729 flat angles C4'-P-C4' energy: -129.783 flat angles P-C4'-P energy: -89.526 tors. eta vs tors. theta energy: -180.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2102.730962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.730962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.730962 (E_RNA) where: Base-Base interactions energy: -1532.598 where: short stacking energy: -613.348 Base-Backbone interact. energy: 1.853 local terms energy: -571.986188 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -89.703 flat angles C4'-P-C4' energy: -139.138 flat angles P-C4'-P energy: -80.006 tors. eta vs tors. theta energy: -168.134 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: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -2015.192227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.192227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.192227 (E_RNA) where: Base-Base interactions energy: -1420.662 where: short stacking energy: -570.903 Base-Backbone interact. energy: -1.288 local terms energy: -593.242404 where: bonds (distance) C4'-P energy: -96.082 bonds (distance) P-C4' energy: -119.187 flat angles C4'-P-C4' energy: -128.033 flat angles P-C4'-P energy: -75.460 tors. eta vs tors. theta energy: -174.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1920.483835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.483835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.483835 (E_RNA) where: Base-Base interactions energy: -1402.407 where: short stacking energy: -566.810 Base-Backbone interact. energy: -1.001 local terms energy: -517.076022 where: bonds (distance) C4'-P energy: -89.668 bonds (distance) P-C4' energy: -83.530 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -154.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1542.501613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.501613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.501613 (E_RNA) where: Base-Base interactions energy: -1069.715 where: short stacking energy: -438.301 Base-Backbone interact. energy: -1.277 local terms energy: -471.509545 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -93.881 flat angles C4'-P-C4' energy: -121.954 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: -104.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2605.010175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.010175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.010175 (E_RNA) where: Base-Base interactions energy: -1882.003 where: short stacking energy: -733.950 Base-Backbone interact. energy: -0.785 local terms energy: -722.221494 where: bonds (distance) C4'-P energy: -127.548 bonds (distance) P-C4' energy: -131.505 flat angles C4'-P-C4' energy: -156.113 flat angles P-C4'-P energy: -102.192 tors. eta vs tors. theta energy: -204.863 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: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2557.919313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.919313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.919313 (E_RNA) where: Base-Base interactions energy: -1844.402 where: short stacking energy: -714.925 Base-Backbone interact. energy: -2.527 local terms energy: -710.990384 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -129.771 flat angles C4'-P-C4' energy: -143.578 flat angles P-C4'-P energy: -105.136 tors. eta vs tors. theta energy: -209.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2422.805666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.805666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.805666 (E_RNA) where: Base-Base interactions energy: -1736.186 where: short stacking energy: -674.372 Base-Backbone interact. energy: 1.025 local terms energy: -687.644739 where: bonds (distance) C4'-P energy: -114.956 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -150.862 flat angles P-C4'-P energy: -90.068 tors. eta vs tors. theta energy: -210.152 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: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2412.987683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.987683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.987683 (E_RNA) where: Base-Base interactions energy: -1744.625 where: short stacking energy: -697.198 Base-Backbone interact. energy: 0.620 local terms energy: -668.982402 where: bonds (distance) C4'-P energy: -106.086 bonds (distance) P-C4' energy: -117.007 flat angles C4'-P-C4' energy: -133.909 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -211.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2324.988381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.988381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.988381 (E_RNA) where: Base-Base interactions energy: -1680.407 where: short stacking energy: -634.565 Base-Backbone interact. energy: -1.638 local terms energy: -642.943230 where: bonds (distance) C4'-P energy: -115.485 bonds (distance) P-C4' energy: -114.542 flat angles C4'-P-C4' energy: -128.259 flat angles P-C4'-P energy: -93.952 tors. eta vs tors. theta energy: -190.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2242.524765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.524765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.524765 (E_RNA) where: Base-Base interactions energy: -1628.327 where: short stacking energy: -618.031 Base-Backbone interact. energy: -2.934 local terms energy: -611.264044 where: bonds (distance) C4'-P energy: -110.425 bonds (distance) P-C4' energy: -110.192 flat angles C4'-P-C4' energy: -133.397 flat angles P-C4'-P energy: -92.832 tors. eta vs tors. theta energy: -164.417 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: 7, replica: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2148.850021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.850021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.850021 (E_RNA) where: Base-Base interactions energy: -1546.050 where: short stacking energy: -595.888 Base-Backbone interact. energy: 1.745 local terms energy: -604.545795 where: bonds (distance) C4'-P energy: -105.237 bonds (distance) P-C4' energy: -119.762 flat angles C4'-P-C4' energy: -133.768 flat angles P-C4'-P energy: -72.626 tors. eta vs tors. theta energy: -173.154 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: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -2028.211856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.211856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.211856 (E_RNA) where: Base-Base interactions energy: -1463.494 where: short stacking energy: -573.094 Base-Backbone interact. energy: -0.789 local terms energy: -563.928324 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -87.001 flat angles C4'-P-C4' energy: -112.076 flat angles P-C4'-P energy: -90.175 tors. eta vs tors. theta energy: -158.544 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: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1930.258094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.258094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.258094 (E_RNA) where: Base-Base interactions energy: -1400.788 where: short stacking energy: -573.541 Base-Backbone interact. energy: 2.611 local terms energy: -532.081325 where: bonds (distance) C4'-P energy: -99.771 bonds (distance) P-C4' energy: -86.470 flat angles C4'-P-C4' energy: -109.188 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -165.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1583.332167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.332167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.332167 (E_RNA) where: Base-Base interactions energy: -1108.502 where: short stacking energy: -458.967 Base-Backbone interact. energy: -0.969 local terms energy: -473.861286 where: bonds (distance) C4'-P energy: -93.084 bonds (distance) P-C4' energy: -93.645 flat angles C4'-P-C4' energy: -109.444 flat angles P-C4'-P energy: -57.906 tors. eta vs tors. theta energy: -119.782 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: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2594.610795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.610795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.610795 (E_RNA) where: Base-Base interactions energy: -1880.083 where: short stacking energy: -735.229 Base-Backbone interact. energy: -0.938 local terms energy: -713.589262 where: bonds (distance) C4'-P energy: -133.793 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -106.116 tors. eta vs tors. theta energy: -211.478 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: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2566.621701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.621701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.621701 (E_RNA) where: Base-Base interactions energy: -1843.874 where: short stacking energy: -720.773 Base-Backbone interact. energy: -0.989 local terms energy: -721.758223 where: bonds (distance) C4'-P energy: -136.683 bonds (distance) P-C4' energy: -127.044 flat angles C4'-P-C4' energy: -153.109 flat angles P-C4'-P energy: -89.831 tors. eta vs tors. theta energy: -215.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2463.205996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.205996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.205996 (E_RNA) where: Base-Base interactions energy: -1777.614 where: short stacking energy: -713.357 Base-Backbone interact. energy: -0.304 local terms energy: -685.287970 where: bonds (distance) C4'-P energy: -109.680 bonds (distance) P-C4' energy: -96.978 flat angles C4'-P-C4' energy: -146.380 flat angles P-C4'-P energy: -115.922 tors. eta vs tors. theta energy: -216.328 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: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2399.613450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.613450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.613450 (E_RNA) where: Base-Base interactions energy: -1735.963 where: short stacking energy: -687.842 Base-Backbone interact. energy: -0.490 local terms energy: -663.160656 where: bonds (distance) C4'-P energy: -90.847 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -149.071 flat angles P-C4'-P energy: -99.040 tors. eta vs tors. theta energy: -208.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2303.877737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.877737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.877737 (E_RNA) where: Base-Base interactions energy: -1695.862 where: short stacking energy: -650.189 Base-Backbone interact. energy: 1.601 local terms energy: -609.616502 where: bonds (distance) C4'-P energy: -100.509 bonds (distance) P-C4' energy: -117.043 flat angles C4'-P-C4' energy: -128.192 flat angles P-C4'-P energy: -89.331 tors. eta vs tors. theta energy: -174.541 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: 136 Temperature: 1.150000 Total energy: -2223.396042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.396042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.396042 (E_RNA) where: Base-Base interactions energy: -1636.704 where: short stacking energy: -639.371 Base-Backbone interact. energy: 9.500 local terms energy: -596.191779 where: bonds (distance) C4'-P energy: -98.377 bonds (distance) P-C4' energy: -103.541 flat angles C4'-P-C4' energy: -144.207 flat angles P-C4'-P energy: -75.720 tors. eta vs tors. theta energy: -174.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2129.661821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.661821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.661821 (E_RNA) where: Base-Base interactions energy: -1522.500 where: short stacking energy: -613.237 Base-Backbone interact. energy: 3.652 local terms energy: -610.813886 where: bonds (distance) C4'-P energy: -113.424 bonds (distance) P-C4' energy: -101.998 flat angles C4'-P-C4' energy: -126.735 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -177.359 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: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -2086.103098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.103098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.103098 (E_RNA) where: Base-Base interactions energy: -1505.558 where: short stacking energy: -606.124 Base-Backbone interact. energy: 0.908 local terms energy: -581.453208 where: bonds (distance) C4'-P energy: -93.606 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -122.920 flat angles P-C4'-P energy: -88.360 tors. eta vs tors. theta energy: -159.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1914.288525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.288525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.288525 (E_RNA) where: Base-Base interactions energy: -1344.449 where: short stacking energy: -544.356 Base-Backbone interact. energy: -1.934 local terms energy: -567.905347 where: bonds (distance) C4'-P energy: -97.514 bonds (distance) P-C4' energy: -95.782 flat angles C4'-P-C4' energy: -119.318 flat angles P-C4'-P energy: -90.029 tors. eta vs tors. theta energy: -165.262 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: 136 Temperature: 1.350000 Total energy: -1654.873907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.873907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.873907 (E_RNA) where: Base-Base interactions energy: -1151.933 where: short stacking energy: -465.016 Base-Backbone interact. energy: 5.687 local terms energy: -508.628393 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -88.810 flat angles C4'-P-C4' energy: -122.056 flat angles P-C4'-P energy: -62.900 tors. eta vs tors. theta energy: -129.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2577.950991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.950991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.950991 (E_RNA) where: Base-Base interactions energy: -1878.179 where: short stacking energy: -726.552 Base-Backbone interact. energy: -2.437 local terms energy: -697.334400 where: bonds (distance) C4'-P energy: -133.763 bonds (distance) P-C4' energy: -122.268 flat angles C4'-P-C4' energy: -132.060 flat angles P-C4'-P energy: -105.726 tors. eta vs tors. theta energy: -203.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2561.923983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.923983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.923983 (E_RNA) where: Base-Base interactions energy: -1850.664 where: short stacking energy: -728.659 Base-Backbone interact. energy: 1.335 local terms energy: -712.594451 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -128.070 flat angles C4'-P-C4' energy: -153.603 flat angles P-C4'-P energy: -103.426 tors. eta vs tors. theta energy: -209.717 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: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2475.146467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.146467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.146467 (E_RNA) where: Base-Base interactions energy: -1787.573 where: short stacking energy: -707.663 Base-Backbone interact. energy: -0.176 local terms energy: -687.397259 where: bonds (distance) C4'-P energy: -122.472 bonds (distance) P-C4' energy: -114.562 flat angles C4'-P-C4' energy: -147.247 flat angles P-C4'-P energy: -91.395 tors. eta vs tors. theta energy: -211.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2383.021145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.021145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.021145 (E_RNA) where: Base-Base interactions energy: -1730.059 where: short stacking energy: -672.045 Base-Backbone interact. energy: -2.302 local terms energy: -650.660134 where: bonds (distance) C4'-P energy: -120.273 bonds (distance) P-C4' energy: -109.543 flat angles C4'-P-C4' energy: -135.158 flat angles P-C4'-P energy: -89.049 tors. eta vs tors. theta energy: -196.637 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: 137 Temperature: 1.100000 Total energy: -2321.832707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.832707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.832707 (E_RNA) where: Base-Base interactions energy: -1693.931 where: short stacking energy: -660.771 Base-Backbone interact. energy: -2.133 local terms energy: -625.768849 where: bonds (distance) C4'-P energy: -105.426 bonds (distance) P-C4' energy: -109.011 flat angles C4'-P-C4' energy: -133.962 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -188.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2186.064158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.064158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.064158 (E_RNA) where: Base-Base interactions energy: -1555.233 where: short stacking energy: -621.070 Base-Backbone interact. energy: -2.402 local terms energy: -628.429426 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -117.270 flat angles C4'-P-C4' energy: -139.976 flat angles P-C4'-P energy: -88.707 tors. eta vs tors. theta energy: -180.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2181.536324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.536324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.536324 (E_RNA) where: Base-Base interactions energy: -1592.177 where: short stacking energy: -615.457 Base-Backbone interact. energy: -1.456 local terms energy: -587.902831 where: bonds (distance) C4'-P energy: -112.499 bonds (distance) P-C4' energy: -94.682 flat angles C4'-P-C4' energy: -130.640 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -171.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -2048.791211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.791211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.791211 (E_RNA) where: Base-Base interactions energy: -1484.329 where: short stacking energy: -571.056 Base-Backbone interact. energy: 1.431 local terms energy: -565.892673 where: bonds (distance) C4'-P energy: -106.361 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -118.656 flat angles P-C4'-P energy: -76.823 tors. eta vs tors. theta energy: -169.964 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: 137 Temperature: 1.300000 Total energy: -1914.814708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.814708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.814708 (E_RNA) where: Base-Base interactions energy: -1398.798 where: short stacking energy: -552.251 Base-Backbone interact. energy: 3.435 local terms energy: -519.451719 where: bonds (distance) C4'-P energy: -95.610 bonds (distance) P-C4' energy: -81.758 flat angles C4'-P-C4' energy: -119.347 flat angles P-C4'-P energy: -78.120 tors. eta vs tors. theta energy: -144.617 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: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1669.192509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.192509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.192509 (E_RNA) where: Base-Base interactions energy: -1185.544 where: short stacking energy: -471.826 Base-Backbone interact. energy: -2.922 local terms energy: -480.727237 where: bonds (distance) C4'-P energy: -88.560 bonds (distance) P-C4' energy: -101.289 flat angles C4'-P-C4' energy: -93.359 flat angles P-C4'-P energy: -77.571 tors. eta vs tors. theta energy: -119.948 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: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2581.946493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.946493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.946493 (E_RNA) where: Base-Base interactions energy: -1869.894 where: short stacking energy: -720.519 Base-Backbone interact. energy: -2.468 local terms energy: -709.584792 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -130.334 flat angles C4'-P-C4' energy: -141.259 flat angles P-C4'-P energy: -100.169 tors. eta vs tors. theta energy: -210.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2588.262877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.262877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.262877 (E_RNA) where: Base-Base interactions energy: -1872.426 where: short stacking energy: -740.857 Base-Backbone interact. energy: -0.800 local terms energy: -715.037219 where: bonds (distance) C4'-P energy: -109.980 bonds (distance) P-C4' energy: -136.050 flat angles C4'-P-C4' energy: -148.085 flat angles P-C4'-P energy: -97.494 tors. eta vs tors. theta energy: -223.428 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: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2485.311703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.311703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.311703 (E_RNA) where: Base-Base interactions energy: -1803.133 where: short stacking energy: -733.013 Base-Backbone interact. energy: 0.034 local terms energy: -682.212483 where: bonds (distance) C4'-P energy: -111.511 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -140.630 flat angles P-C4'-P energy: -108.965 tors. eta vs tors. theta energy: -219.184 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: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2402.068677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.068677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.068677 (E_RNA) where: Base-Base interactions energy: -1736.342 where: short stacking energy: -691.496 Base-Backbone interact. energy: -0.896 local terms energy: -664.831064 where: bonds (distance) C4'-P energy: -100.858 bonds (distance) P-C4' energy: -120.368 flat angles C4'-P-C4' energy: -144.728 flat angles P-C4'-P energy: -85.457 tors. eta vs tors. theta energy: -213.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2310.211705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.211705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.211705 (E_RNA) where: Base-Base interactions energy: -1695.159 where: short stacking energy: -657.531 Base-Backbone interact. energy: 0.967 local terms energy: -616.020339 where: bonds (distance) C4'-P energy: -101.569 bonds (distance) P-C4' energy: -102.878 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -183.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2168.537189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.537189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.537189 (E_RNA) where: Base-Base interactions energy: -1554.665 where: short stacking energy: -612.597 Base-Backbone interact. energy: 0.839 local terms energy: -614.711832 where: bonds (distance) C4'-P energy: -109.472 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -130.857 flat angles P-C4'-P energy: -90.920 tors. eta vs tors. theta energy: -178.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2206.176772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.176772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.176772 (E_RNA) where: Base-Base interactions energy: -1590.173 where: short stacking energy: -600.963 Base-Backbone interact. energy: -2.181 local terms energy: -613.823075 where: bonds (distance) C4'-P energy: -108.963 bonds (distance) P-C4' energy: -104.013 flat angles C4'-P-C4' energy: -130.882 flat angles P-C4'-P energy: -96.559 tors. eta vs tors. theta energy: -173.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -2060.856404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.856404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.856404 (E_RNA) where: Base-Base interactions energy: -1503.342 where: short stacking energy: -588.085 Base-Backbone interact. energy: 0.993 local terms energy: -558.506861 where: bonds (distance) C4'-P energy: -101.792 bonds (distance) P-C4' energy: -100.024 flat angles C4'-P-C4' energy: -114.576 flat angles P-C4'-P energy: -77.615 tors. eta vs tors. theta energy: -164.500 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: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1933.721917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.721917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.721917 (E_RNA) where: Base-Base interactions energy: -1384.912 where: short stacking energy: -533.014 Base-Backbone interact. energy: -0.314 local terms energy: -548.495943 where: bonds (distance) C4'-P energy: -92.161 bonds (distance) P-C4' energy: -100.520 flat angles C4'-P-C4' energy: -121.547 flat angles P-C4'-P energy: -78.168 tors. eta vs tors. theta energy: -156.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1512.036708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.036708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.036708 (E_RNA) where: Base-Base interactions energy: -1033.263 where: short stacking energy: -398.525 Base-Backbone interact. energy: 6.706 local terms energy: -485.479723 where: bonds (distance) C4'-P energy: -106.695 bonds (distance) P-C4' energy: -108.677 flat angles C4'-P-C4' energy: -106.841 flat angles P-C4'-P energy: -73.666 tors. eta vs tors. theta energy: -89.602 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: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2629.368175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.368175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.368175 (E_RNA) where: Base-Base interactions energy: -1923.726 where: short stacking energy: -754.450 Base-Backbone interact. energy: -0.100 local terms energy: -705.541370 where: bonds (distance) C4'-P energy: -128.620 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -149.454 flat angles P-C4'-P energy: -103.855 tors. eta vs tors. theta energy: -212.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2556.204627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.204627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.204627 (E_RNA) where: Base-Base interactions energy: -1843.494 where: short stacking energy: -720.468 Base-Backbone interact. energy: -1.472 local terms energy: -711.238490 where: bonds (distance) C4'-P energy: -126.494 bonds (distance) P-C4' energy: -124.233 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -213.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2474.869528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.869528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.869528 (E_RNA) where: Base-Base interactions energy: -1793.349 where: short stacking energy: -699.375 Base-Backbone interact. energy: 0.344 local terms energy: -681.864088 where: bonds (distance) C4'-P energy: -109.928 bonds (distance) P-C4' energy: -124.196 flat angles C4'-P-C4' energy: -141.187 flat angles P-C4'-P energy: -103.182 tors. eta vs tors. theta energy: -203.371 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: 139 Temperature: 1.050000 Total energy: -2405.195787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.195787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.195787 (E_RNA) where: Base-Base interactions energy: -1730.320 where: short stacking energy: -689.059 Base-Backbone interact. energy: 0.807 local terms energy: -675.682891 where: bonds (distance) C4'-P energy: -108.646 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -95.731 tors. eta vs tors. theta energy: -214.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2322.869415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.869415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.869415 (E_RNA) where: Base-Base interactions energy: -1686.609 where: short stacking energy: -646.251 Base-Backbone interact. energy: -1.193 local terms energy: -635.067154 where: bonds (distance) C4'-P energy: -107.154 bonds (distance) P-C4' energy: -127.364 flat angles C4'-P-C4' energy: -133.873 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -186.574 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: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2265.969855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.969855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.969855 (E_RNA) where: Base-Base interactions energy: -1613.158 where: short stacking energy: -627.879 Base-Backbone interact. energy: -0.191 local terms energy: -652.620606 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -109.883 flat angles C4'-P-C4' energy: -138.794 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -182.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2149.022758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.022758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.022758 (E_RNA) where: Base-Base interactions energy: -1590.298 where: short stacking energy: -629.155 Base-Backbone interact. energy: -1.864 local terms energy: -556.860432 where: bonds (distance) C4'-P energy: -101.006 bonds (distance) P-C4' energy: -84.934 flat angles C4'-P-C4' energy: -119.563 flat angles P-C4'-P energy: -83.557 tors. eta vs tors. theta energy: -167.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -2033.691955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.691955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.691955 (E_RNA) where: Base-Base interactions energy: -1455.847 where: short stacking energy: -584.480 Base-Backbone interact. energy: 2.021 local terms energy: -579.866157 where: bonds (distance) C4'-P energy: -107.208 bonds (distance) P-C4' energy: -103.681 flat angles C4'-P-C4' energy: -126.304 flat angles P-C4'-P energy: -75.069 tors. eta vs tors. theta energy: -167.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1940.681715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.681715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.681715 (E_RNA) where: Base-Base interactions energy: -1396.308 where: short stacking energy: -558.531 Base-Backbone interact. energy: -0.264 local terms energy: -544.109716 where: bonds (distance) C4'-P energy: -93.917 bonds (distance) P-C4' energy: -103.288 flat angles C4'-P-C4' energy: -115.875 flat angles P-C4'-P energy: -72.195 tors. eta vs tors. theta energy: -158.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1575.710564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.710564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.710564 (E_RNA) where: Base-Base interactions energy: -1082.683 where: short stacking energy: -433.055 Base-Backbone interact. energy: 0.926 local terms energy: -493.953385 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -111.793 flat angles C4'-P-C4' energy: -112.499 flat angles P-C4'-P energy: -67.543 tors. eta vs tors. theta energy: -109.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2636.911429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.911429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.911429 (E_RNA) where: Base-Base interactions energy: -1907.762 where: short stacking energy: -739.088 Base-Backbone interact. energy: -3.096 local terms energy: -726.053987 where: bonds (distance) C4'-P energy: -127.869 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -145.829 flat angles P-C4'-P energy: -106.663 tors. eta vs tors. theta energy: -216.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2574.634072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.634072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.634072 (E_RNA) where: Base-Base interactions energy: -1883.147 where: short stacking energy: -727.933 Base-Backbone interact. energy: -1.335 local terms energy: -690.152042 where: bonds (distance) C4'-P energy: -121.193 bonds (distance) P-C4' energy: -110.402 flat angles C4'-P-C4' energy: -155.100 flat angles P-C4'-P energy: -100.043 tors. eta vs tors. theta energy: -203.414 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2474.370810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.370810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.370810 (E_RNA) where: Base-Base interactions energy: -1775.126 where: short stacking energy: -687.023 Base-Backbone interact. energy: -2.938 local terms energy: -696.307032 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -112.684 flat angles C4'-P-C4' energy: -148.562 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -210.536 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: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2382.104688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.104688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.104688 (E_RNA) where: Base-Base interactions energy: -1702.320 where: short stacking energy: -683.950 Base-Backbone interact. energy: -0.286 local terms energy: -679.497958 where: bonds (distance) C4'-P energy: -117.827 bonds (distance) P-C4' energy: -120.728 flat angles C4'-P-C4' energy: -130.960 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -209.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2317.280285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.280285 (E_RNA) where: Base-Base interactions energy: -1683.577 where: short stacking energy: -640.460 Base-Backbone interact. energy: -0.208 local terms energy: -633.496128 where: bonds (distance) C4'-P energy: -106.229 bonds (distance) P-C4' energy: -117.282 flat angles C4'-P-C4' energy: -130.452 flat angles P-C4'-P energy: -95.547 tors. eta vs tors. theta energy: -183.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2227.681045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.681045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.681045 (E_RNA) where: Base-Base interactions energy: -1656.381 where: short stacking energy: -617.129 Base-Backbone interact. energy: 1.043 local terms energy: -572.343403 where: bonds (distance) C4'-P energy: -103.089 bonds (distance) P-C4' energy: -104.385 flat angles C4'-P-C4' energy: -125.189 flat angles P-C4'-P energy: -76.268 tors. eta vs tors. theta energy: -163.412 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: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2133.694256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.694256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.694256 (E_RNA) where: Base-Base interactions energy: -1554.649 where: short stacking energy: -602.676 Base-Backbone interact. energy: -1.115 local terms energy: -577.930216 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -102.946 flat angles C4'-P-C4' energy: -125.518 flat angles P-C4'-P energy: -82.654 tors. eta vs tors. theta energy: -168.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1987.322578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.322578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.322578 (E_RNA) where: Base-Base interactions energy: -1473.395 where: short stacking energy: -562.837 Base-Backbone interact. energy: 3.882 local terms energy: -517.809621 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -91.773 flat angles C4'-P-C4' energy: -114.897 flat angles P-C4'-P energy: -78.563 tors. eta vs tors. theta energy: -142.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1925.625532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.625532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.625532 (E_RNA) where: Base-Base interactions energy: -1382.542 where: short stacking energy: -547.678 Base-Backbone interact. energy: 1.282 local terms energy: -544.365662 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -100.397 flat angles C4'-P-C4' energy: -95.472 flat angles P-C4'-P energy: -85.835 tors. eta vs tors. theta energy: -154.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1607.650481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.650481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.650481 (E_RNA) where: Base-Base interactions energy: -1115.665 where: short stacking energy: -456.768 Base-Backbone interact. energy: 1.287 local terms energy: -493.272649 where: bonds (distance) C4'-P energy: -117.240 bonds (distance) P-C4' energy: -95.585 flat angles C4'-P-C4' energy: -102.092 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -124.290 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: 1, replica: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2622.378836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.378836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.378836 (E_RNA) where: Base-Base interactions energy: -1932.693 where: short stacking energy: -745.088 Base-Backbone interact. energy: -0.379 local terms energy: -689.306686 where: bonds (distance) C4'-P energy: -114.735 bonds (distance) P-C4' energy: -116.282 flat angles C4'-P-C4' energy: -137.573 flat angles P-C4'-P energy: -112.005 tors. eta vs tors. theta energy: -208.712 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: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2572.068706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.068706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.068706 (E_RNA) where: Base-Base interactions energy: -1870.195 where: short stacking energy: -717.928 Base-Backbone interact. energy: -0.778 local terms energy: -701.095837 where: bonds (distance) C4'-P energy: -110.249 bonds (distance) P-C4' energy: -117.451 flat angles C4'-P-C4' energy: -155.982 flat angles P-C4'-P energy: -108.082 tors. eta vs tors. theta energy: -209.332 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: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2489.224891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.224891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.224891 (E_RNA) where: Base-Base interactions energy: -1794.700 where: short stacking energy: -696.632 Base-Backbone interact. energy: -1.124 local terms energy: -693.401531 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -115.545 flat angles C4'-P-C4' energy: -153.038 flat angles P-C4'-P energy: -103.791 tors. eta vs tors. theta energy: -210.116 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: 141 Temperature: 1.050000 Total energy: -2401.214800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.214800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.214800 (E_RNA) where: Base-Base interactions energy: -1739.203 where: short stacking energy: -704.395 Base-Backbone interact. energy: 0.136 local terms energy: -662.148054 where: bonds (distance) C4'-P energy: -109.637 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -138.849 flat angles P-C4'-P energy: -105.146 tors. eta vs tors. theta energy: -201.410 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: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2330.650864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.650864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.650864 (E_RNA) where: Base-Base interactions energy: -1704.918 where: short stacking energy: -660.366 Base-Backbone interact. energy: 2.746 local terms energy: -628.478476 where: bonds (distance) C4'-P energy: -111.756 bonds (distance) P-C4' energy: -106.365 flat angles C4'-P-C4' energy: -129.543 flat angles P-C4'-P energy: -87.249 tors. eta vs tors. theta energy: -193.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2243.035015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.035015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.035015 (E_RNA) where: Base-Base interactions energy: -1647.124 where: short stacking energy: -634.130 Base-Backbone interact. energy: -0.039 local terms energy: -595.872164 where: bonds (distance) C4'-P energy: -99.779 bonds (distance) P-C4' energy: -102.067 flat angles C4'-P-C4' energy: -136.417 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -174.282 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: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2157.203445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.203445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.203445 (E_RNA) where: Base-Base interactions energy: -1567.783 where: short stacking energy: -591.504 Base-Backbone interact. energy: 0.171 local terms energy: -589.592087 where: bonds (distance) C4'-P energy: -94.583 bonds (distance) P-C4' energy: -114.645 flat angles C4'-P-C4' energy: -123.977 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -165.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1945.269939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.269939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.269939 (E_RNA) where: Base-Base interactions energy: -1367.884 where: short stacking energy: -554.630 Base-Backbone interact. energy: 0.549 local terms energy: -577.935010 where: bonds (distance) C4'-P energy: -108.495 bonds (distance) P-C4' energy: -100.930 flat angles C4'-P-C4' energy: -125.194 flat angles P-C4'-P energy: -91.491 tors. eta vs tors. theta energy: -151.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1923.669016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.669016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.669016 (E_RNA) where: Base-Base interactions energy: -1407.248 where: short stacking energy: -551.061 Base-Backbone interact. energy: -2.352 local terms energy: -514.069257 where: bonds (distance) C4'-P energy: -99.245 bonds (distance) P-C4' energy: -91.024 flat angles C4'-P-C4' energy: -104.421 flat angles P-C4'-P energy: -66.241 tors. eta vs tors. theta energy: -153.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1571.451714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.451714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.451714 (E_RNA) where: Base-Base interactions energy: -1097.558 where: short stacking energy: -456.500 Base-Backbone interact. energy: -3.026 local terms energy: -470.867597 where: bonds (distance) C4'-P energy: -97.174 bonds (distance) P-C4' energy: -89.566 flat angles C4'-P-C4' energy: -108.648 flat angles P-C4'-P energy: -51.366 tors. eta vs tors. theta energy: -124.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2605.440016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.440016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.440016 (E_RNA) where: Base-Base interactions energy: -1915.736 where: short stacking energy: -746.409 Base-Backbone interact. energy: 2.775 local terms energy: -692.478890 where: bonds (distance) C4'-P energy: -124.668 bonds (distance) P-C4' energy: -122.968 flat angles C4'-P-C4' energy: -142.254 flat angles P-C4'-P energy: -93.864 tors. eta vs tors. theta energy: -208.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2554.435788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.435788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.435788 (E_RNA) where: Base-Base interactions energy: -1861.669 where: short stacking energy: -712.816 Base-Backbone interact. energy: -2.560 local terms energy: -690.206914 where: bonds (distance) C4'-P energy: -114.643 bonds (distance) P-C4' energy: -118.115 flat angles C4'-P-C4' energy: -148.913 flat angles P-C4'-P energy: -95.883 tors. eta vs tors. theta energy: -212.653 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: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2507.349160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.349160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.349160 (E_RNA) where: Base-Base interactions energy: -1822.435 where: short stacking energy: -714.458 Base-Backbone interact. energy: -1.190 local terms energy: -683.723623 where: bonds (distance) C4'-P energy: -125.930 bonds (distance) P-C4' energy: -111.301 flat angles C4'-P-C4' energy: -141.070 flat angles P-C4'-P energy: -94.282 tors. eta vs tors. theta energy: -211.140 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: 142 Temperature: 1.050000 Total energy: -2394.287409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.287409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.287409 (E_RNA) where: Base-Base interactions energy: -1710.869 where: short stacking energy: -694.584 Base-Backbone interact. energy: -1.087 local terms energy: -682.331578 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -118.426 flat angles C4'-P-C4' energy: -139.425 flat angles P-C4'-P energy: -95.038 tors. eta vs tors. theta energy: -210.327 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: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2323.810884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.810884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.810884 (E_RNA) where: Base-Base interactions energy: -1692.926 where: short stacking energy: -655.201 Base-Backbone interact. energy: 1.081 local terms energy: -631.965045 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -116.944 flat angles C4'-P-C4' energy: -136.007 flat angles P-C4'-P energy: -92.110 tors. eta vs tors. theta energy: -193.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2247.979553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.979553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.979553 (E_RNA) where: Base-Base interactions energy: -1618.607 where: short stacking energy: -611.587 Base-Backbone interact. energy: 1.204 local terms energy: -630.577050 where: bonds (distance) C4'-P energy: -94.349 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -142.058 flat angles P-C4'-P energy: -88.812 tors. eta vs tors. theta energy: -175.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2181.998506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.998506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.998506 (E_RNA) where: Base-Base interactions energy: -1584.712 where: short stacking energy: -591.518 Base-Backbone interact. energy: -0.316 local terms energy: -596.971305 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -103.844 flat angles C4'-P-C4' energy: -136.269 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -171.923 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: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1956.400467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.400467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.400467 (E_RNA) where: Base-Base interactions energy: -1373.089 where: short stacking energy: -537.227 Base-Backbone interact. energy: 11.648 local terms energy: -594.959283 where: bonds (distance) C4'-P energy: -105.552 bonds (distance) P-C4' energy: -117.938 flat angles C4'-P-C4' energy: -128.340 flat angles P-C4'-P energy: -92.105 tors. eta vs tors. theta energy: -151.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1910.330265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.330265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.330265 (E_RNA) where: Base-Base interactions energy: -1367.230 where: short stacking energy: -544.787 Base-Backbone interact. energy: 2.704 local terms energy: -545.804165 where: bonds (distance) C4'-P energy: -97.220 bonds (distance) P-C4' energy: -93.744 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -85.185 tors. eta vs tors. theta energy: -149.107 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: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1610.980904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.980904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.980904 (E_RNA) where: Base-Base interactions energy: -1128.046 where: short stacking energy: -458.277 Base-Backbone interact. energy: -1.743 local terms energy: -481.192303 where: bonds (distance) C4'-P energy: -68.129 bonds (distance) P-C4' energy: -111.560 flat angles C4'-P-C4' energy: -116.061 flat angles P-C4'-P energy: -76.950 tors. eta vs tors. theta energy: -108.491 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: 143 Temperature: 0.900000 Total energy: -2600.369663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.369663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.369663 (E_RNA) where: Base-Base interactions energy: -1884.762 where: short stacking energy: -746.895 Base-Backbone interact. energy: -1.351 local terms energy: -714.255672 where: bonds (distance) C4'-P energy: -114.008 bonds (distance) P-C4' energy: -132.458 flat angles C4'-P-C4' energy: -152.334 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -207.951 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2600.006362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.006362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.006362 (E_RNA) where: Base-Base interactions energy: -1908.428 where: short stacking energy: -733.311 Base-Backbone interact. energy: -0.990 local terms energy: -690.588194 where: bonds (distance) C4'-P energy: -114.913 bonds (distance) P-C4' energy: -124.975 flat angles C4'-P-C4' energy: -145.789 flat angles P-C4'-P energy: -96.574 tors. eta vs tors. theta energy: -208.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2533.535460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.535460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.535460 (E_RNA) where: Base-Base interactions energy: -1845.296 where: short stacking energy: -723.165 Base-Backbone interact. energy: -2.404 local terms energy: -685.835300 where: bonds (distance) C4'-P energy: -133.292 bonds (distance) P-C4' energy: -113.487 flat angles C4'-P-C4' energy: -139.357 flat angles P-C4'-P energy: -89.429 tors. eta vs tors. theta energy: -210.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2394.083034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.083034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.083034 (E_RNA) where: Base-Base interactions energy: -1724.959 where: short stacking energy: -678.371 Base-Backbone interact. energy: 3.292 local terms energy: -672.415328 where: bonds (distance) C4'-P energy: -115.243 bonds (distance) P-C4' energy: -120.777 flat angles C4'-P-C4' energy: -142.214 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -193.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2323.628329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.628329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.628329 (E_RNA) where: Base-Base interactions energy: -1714.494 where: short stacking energy: -655.601 Base-Backbone interact. energy: 1.529 local terms energy: -610.663124 where: bonds (distance) C4'-P energy: -94.275 bonds (distance) P-C4' energy: -117.369 flat angles C4'-P-C4' energy: -126.988 flat angles P-C4'-P energy: -87.828 tors. eta vs tors. theta energy: -184.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2241.356121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.356121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.356121 (E_RNA) where: Base-Base interactions energy: -1578.000 where: short stacking energy: -607.911 Base-Backbone interact. energy: 3.200 local terms energy: -666.556227 where: bonds (distance) C4'-P energy: -109.782 bonds (distance) P-C4' energy: -124.586 flat angles C4'-P-C4' energy: -149.384 flat angles P-C4'-P energy: -100.047 tors. eta vs tors. theta energy: -182.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2184.920850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.920850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.920850 (E_RNA) where: Base-Base interactions energy: -1560.433 where: short stacking energy: -591.144 Base-Backbone interact. energy: -2.401 local terms energy: -622.087035 where: bonds (distance) C4'-P energy: -120.508 bonds (distance) P-C4' energy: -107.225 flat angles C4'-P-C4' energy: -131.449 flat angles P-C4'-P energy: -94.959 tors. eta vs tors. theta energy: -167.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -2004.660755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.660755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.660755 (E_RNA) where: Base-Base interactions energy: -1435.853 where: short stacking energy: -586.138 Base-Backbone interact. energy: -1.953 local terms energy: -566.854756 where: bonds (distance) C4'-P energy: -104.610 bonds (distance) P-C4' energy: -94.669 flat angles C4'-P-C4' energy: -117.112 flat angles P-C4'-P energy: -83.355 tors. eta vs tors. theta energy: -167.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1931.056983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.056983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.056983 (E_RNA) where: Base-Base interactions energy: -1410.083 where: short stacking energy: -555.083 Base-Backbone interact. energy: 4.271 local terms energy: -525.244825 where: bonds (distance) C4'-P energy: -102.574 bonds (distance) P-C4' energy: -95.951 flat angles C4'-P-C4' energy: -116.759 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -144.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1588.921504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.921504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.921504 (E_RNA) where: Base-Base interactions energy: -1084.213 where: short stacking energy: -436.542 Base-Backbone interact. energy: 3.799 local terms energy: -508.507277 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -97.276 flat angles C4'-P-C4' energy: -111.589 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: -118.142 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: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2591.856732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.856732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.856732 (E_RNA) where: Base-Base interactions energy: -1908.231 where: short stacking energy: -749.917 Base-Backbone interact. energy: -2.392 local terms energy: -681.233808 where: bonds (distance) C4'-P energy: -114.798 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -134.645 flat angles P-C4'-P energy: -101.247 tors. eta vs tors. theta energy: -208.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2575.977759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.977759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.977759 (E_RNA) where: Base-Base interactions energy: -1869.976 where: short stacking energy: -709.843 Base-Backbone interact. energy: -1.356 local terms energy: -704.645669 where: bonds (distance) C4'-P energy: -128.797 bonds (distance) P-C4' energy: -130.217 flat angles C4'-P-C4' energy: -144.726 flat angles P-C4'-P energy: -89.448 tors. eta vs tors. theta energy: -211.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2492.643787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.643787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.643787 (E_RNA) where: Base-Base interactions energy: -1792.470 where: short stacking energy: -707.092 Base-Backbone interact. energy: -1.555 local terms energy: -698.618482 where: bonds (distance) C4'-P energy: -120.104 bonds (distance) P-C4' energy: -124.276 flat angles C4'-P-C4' energy: -151.195 flat angles P-C4'-P energy: -94.436 tors. eta vs tors. theta energy: -208.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2407.898067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.898067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.898067 (E_RNA) where: Base-Base interactions energy: -1746.480 where: short stacking energy: -693.102 Base-Backbone interact. energy: -1.316 local terms energy: -660.101787 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -113.053 flat angles C4'-P-C4' energy: -152.636 flat angles P-C4'-P energy: -82.597 tors. eta vs tors. theta energy: -196.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2312.730846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.730846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.730846 (E_RNA) where: Base-Base interactions energy: -1698.355 where: short stacking energy: -645.926 Base-Backbone interact. energy: -0.067 local terms energy: -614.309108 where: bonds (distance) C4'-P energy: -99.156 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -131.963 flat angles P-C4'-P energy: -93.453 tors. eta vs tors. theta energy: -186.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2264.474472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.474472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.474472 (E_RNA) where: Base-Base interactions energy: -1638.530 where: short stacking energy: -642.364 Base-Backbone interact. energy: -2.139 local terms energy: -623.805838 where: bonds (distance) C4'-P energy: -101.512 bonds (distance) P-C4' energy: -113.317 flat angles C4'-P-C4' energy: -131.867 flat angles P-C4'-P energy: -94.106 tors. eta vs tors. theta energy: -183.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2141.616319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.616319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.616319 (E_RNA) where: Base-Base interactions energy: -1563.629 where: short stacking energy: -580.418 Base-Backbone interact. energy: -1.277 local terms energy: -576.710391 where: bonds (distance) C4'-P energy: -87.312 bonds (distance) P-C4' energy: -117.509 flat angles C4'-P-C4' energy: -128.288 flat angles P-C4'-P energy: -82.785 tors. eta vs tors. theta energy: -160.816 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: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -2020.140758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.140758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.140758 (E_RNA) where: Base-Base interactions energy: -1458.402 where: short stacking energy: -571.520 Base-Backbone interact. energy: -3.291 local terms energy: -558.448070 where: bonds (distance) C4'-P energy: -85.714 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -135.709 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -160.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1965.294520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.294520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.294520 (E_RNA) where: Base-Base interactions energy: -1407.214 where: short stacking energy: -567.358 Base-Backbone interact. energy: -0.766 local terms energy: -557.314805 where: bonds (distance) C4'-P energy: -103.507 bonds (distance) P-C4' energy: -96.354 flat angles C4'-P-C4' energy: -119.634 flat angles P-C4'-P energy: -80.554 tors. eta vs tors. theta energy: -157.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1665.775383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.775383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.775383 (E_RNA) where: Base-Base interactions energy: -1158.820 where: short stacking energy: -478.572 Base-Backbone interact. energy: 5.657 local terms energy: -512.612292 where: bonds (distance) C4'-P energy: -87.215 bonds (distance) P-C4' energy: -111.279 flat angles C4'-P-C4' energy: -120.816 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -119.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2602.971163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.971163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.971163 (E_RNA) where: Base-Base interactions energy: -1878.612 where: short stacking energy: -738.441 Base-Backbone interact. energy: -2.015 local terms energy: -722.343996 where: bonds (distance) C4'-P energy: -124.178 bonds (distance) P-C4' energy: -127.303 flat angles C4'-P-C4' energy: -147.596 flat angles P-C4'-P energy: -110.705 tors. eta vs tors. theta energy: -212.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2521.107965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.107965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.107965 (E_RNA) where: Base-Base interactions energy: -1832.538 where: short stacking energy: -710.748 Base-Backbone interact. energy: -1.708 local terms energy: -686.861352 where: bonds (distance) C4'-P energy: -125.324 bonds (distance) P-C4' energy: -119.651 flat angles C4'-P-C4' energy: -142.409 flat angles P-C4'-P energy: -92.174 tors. eta vs tors. theta energy: -207.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2512.143844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.143844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.143844 (E_RNA) where: Base-Base interactions energy: -1829.243 where: short stacking energy: -713.868 Base-Backbone interact. energy: -1.558 local terms energy: -681.343341 where: bonds (distance) C4'-P energy: -109.999 bonds (distance) P-C4' energy: -122.696 flat angles C4'-P-C4' energy: -142.143 flat angles P-C4'-P energy: -99.109 tors. eta vs tors. theta energy: -207.396 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: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2398.545077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.545077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.545077 (E_RNA) where: Base-Base interactions energy: -1746.830 where: short stacking energy: -705.460 Base-Backbone interact. energy: -0.256 local terms energy: -651.459146 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -101.516 flat angles C4'-P-C4' energy: -138.328 flat angles P-C4'-P energy: -89.975 tors. eta vs tors. theta energy: -202.687 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: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2325.713746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.713746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.713746 (E_RNA) where: Base-Base interactions energy: -1682.235 where: short stacking energy: -656.653 Base-Backbone interact. energy: 1.727 local terms energy: -645.204971 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -117.145 flat angles C4'-P-C4' energy: -142.313 flat angles P-C4'-P energy: -82.332 tors. eta vs tors. theta energy: -182.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2231.515984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.515984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.515984 (E_RNA) where: Base-Base interactions energy: -1606.680 where: short stacking energy: -625.049 Base-Backbone interact. energy: 2.483 local terms energy: -627.318754 where: bonds (distance) C4'-P energy: -118.681 bonds (distance) P-C4' energy: -100.255 flat angles C4'-P-C4' energy: -145.358 flat angles P-C4'-P energy: -89.549 tors. eta vs tors. theta energy: -173.476 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: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2196.125081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.125081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.125081 (E_RNA) where: Base-Base interactions energy: -1625.406 where: short stacking energy: -604.316 Base-Backbone interact. energy: 5.684 local terms energy: -576.403885 where: bonds (distance) C4'-P energy: -89.079 bonds (distance) P-C4' energy: -115.595 flat angles C4'-P-C4' energy: -121.853 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -168.629 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: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -2013.661577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.661577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.661577 (E_RNA) where: Base-Base interactions energy: -1475.239 where: short stacking energy: -601.989 Base-Backbone interact. energy: -0.050 local terms energy: -538.372736 where: bonds (distance) C4'-P energy: -97.014 bonds (distance) P-C4' energy: -76.540 flat angles C4'-P-C4' energy: -123.030 flat angles P-C4'-P energy: -76.172 tors. eta vs tors. theta energy: -165.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1995.172259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.172259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.172259 (E_RNA) where: Base-Base interactions energy: -1451.976 where: short stacking energy: -568.226 Base-Backbone interact. energy: 0.042 local terms energy: -543.238228 where: bonds (distance) C4'-P energy: -82.275 bonds (distance) P-C4' energy: -117.498 flat angles C4'-P-C4' energy: -113.930 flat angles P-C4'-P energy: -76.301 tors. eta vs tors. theta energy: -153.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1644.130759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.130759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.130759 (E_RNA) where: Base-Base interactions energy: -1172.785 where: short stacking energy: -449.116 Base-Backbone interact. energy: 2.376 local terms energy: -473.721025 where: bonds (distance) C4'-P energy: -75.848 bonds (distance) P-C4' energy: -107.670 flat angles C4'-P-C4' energy: -119.451 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -108.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2629.508296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.508296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.508296 (E_RNA) where: Base-Base interactions energy: -1906.849 where: short stacking energy: -747.254 Base-Backbone interact. energy: -0.251 local terms energy: -722.407960 where: bonds (distance) C4'-P energy: -127.454 bonds (distance) P-C4' energy: -127.408 flat angles C4'-P-C4' energy: -147.168 flat angles P-C4'-P energy: -101.496 tors. eta vs tors. theta energy: -218.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2548.145385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.145385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.145385 (E_RNA) where: Base-Base interactions energy: -1868.029 where: short stacking energy: -712.684 Base-Backbone interact. energy: -0.325 local terms energy: -679.791294 where: bonds (distance) C4'-P energy: -125.696 bonds (distance) P-C4' energy: -121.857 flat angles C4'-P-C4' energy: -144.680 flat angles P-C4'-P energy: -88.509 tors. eta vs tors. theta energy: -199.049 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: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2479.639352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.639352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.639352 (E_RNA) where: Base-Base interactions energy: -1809.957 where: short stacking energy: -719.246 Base-Backbone interact. energy: 1.308 local terms energy: -670.990493 where: bonds (distance) C4'-P energy: -106.016 bonds (distance) P-C4' energy: -114.326 flat angles C4'-P-C4' energy: -148.790 flat angles P-C4'-P energy: -86.617 tors. eta vs tors. theta energy: -215.241 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: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2429.980627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.980627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.980627 (E_RNA) where: Base-Base interactions energy: -1753.323 where: short stacking energy: -712.673 Base-Backbone interact. energy: -2.062 local terms energy: -674.595347 where: bonds (distance) C4'-P energy: -108.668 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -146.895 flat angles P-C4'-P energy: -94.916 tors. eta vs tors. theta energy: -209.177 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2337.164720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.164720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.164720 (E_RNA) where: Base-Base interactions energy: -1708.644 where: short stacking energy: -676.405 Base-Backbone interact. energy: -0.438 local terms energy: -628.082787 where: bonds (distance) C4'-P energy: -110.645 bonds (distance) P-C4' energy: -100.362 flat angles C4'-P-C4' energy: -141.415 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -184.609 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: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2252.838035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.838035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.838035 (E_RNA) where: Base-Base interactions energy: -1633.398 where: short stacking energy: -637.440 Base-Backbone interact. energy: -1.871 local terms energy: -617.568277 where: bonds (distance) C4'-P energy: -104.164 bonds (distance) P-C4' energy: -115.425 flat angles C4'-P-C4' energy: -129.900 flat angles P-C4'-P energy: -84.453 tors. eta vs tors. theta energy: -183.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2170.937698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.937698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.937698 (E_RNA) where: Base-Base interactions energy: -1585.840 where: short stacking energy: -603.297 Base-Backbone interact. energy: -1.089 local terms energy: -584.008267 where: bonds (distance) C4'-P energy: -87.161 bonds (distance) P-C4' energy: -116.606 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -78.479 tors. eta vs tors. theta energy: -174.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -2044.678845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.678845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.678845 (E_RNA) where: Base-Base interactions energy: -1472.124 where: short stacking energy: -571.151 Base-Backbone interact. energy: 1.535 local terms energy: -574.090044 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -108.285 flat angles C4'-P-C4' energy: -118.679 flat angles P-C4'-P energy: -93.552 tors. eta vs tors. theta energy: -155.078 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: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1983.562156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.562156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.562156 (E_RNA) where: Base-Base interactions energy: -1434.437 where: short stacking energy: -571.828 Base-Backbone interact. energy: -1.593 local terms energy: -547.532028 where: bonds (distance) C4'-P energy: -107.037 bonds (distance) P-C4' energy: -82.288 flat angles C4'-P-C4' energy: -120.542 flat angles P-C4'-P energy: -67.503 tors. eta vs tors. theta energy: -170.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1598.842703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.842703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.842703 (E_RNA) where: Base-Base interactions energy: -1125.830 where: short stacking energy: -454.508 Base-Backbone interact. energy: -1.605 local terms energy: -471.407926 where: bonds (distance) C4'-P energy: -82.429 bonds (distance) P-C4' energy: -109.805 flat angles C4'-P-C4' energy: -110.054 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: -104.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2617.731009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.731009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.731009 (E_RNA) where: Base-Base interactions energy: -1891.444 where: short stacking energy: -741.087 Base-Backbone interact. energy: 1.344 local terms energy: -727.631212 where: bonds (distance) C4'-P energy: -127.289 bonds (distance) P-C4' energy: -130.524 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -107.418 tors. eta vs tors. theta energy: -217.949 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: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2588.163457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.163457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.163457 (E_RNA) where: Base-Base interactions energy: -1893.933 where: short stacking energy: -716.661 Base-Backbone interact. energy: -0.977 local terms energy: -693.253234 where: bonds (distance) C4'-P energy: -126.979 bonds (distance) P-C4' energy: -116.362 flat angles C4'-P-C4' energy: -151.287 flat angles P-C4'-P energy: -82.939 tors. eta vs tors. theta energy: -215.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2500.958883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.958883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.958883 (E_RNA) where: Base-Base interactions energy: -1823.395 where: short stacking energy: -721.851 Base-Backbone interact. energy: -0.506 local terms energy: -677.057619 where: bonds (distance) C4'-P energy: -126.344 bonds (distance) P-C4' energy: -109.214 flat angles C4'-P-C4' energy: -138.257 flat angles P-C4'-P energy: -88.520 tors. eta vs tors. theta energy: -214.723 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: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2434.194810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.194810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.194810 (E_RNA) where: Base-Base interactions energy: -1766.254 where: short stacking energy: -711.904 Base-Backbone interact. energy: -2.335 local terms energy: -665.605516 where: bonds (distance) C4'-P energy: -110.227 bonds (distance) P-C4' energy: -104.950 flat angles C4'-P-C4' energy: -142.444 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -214.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2363.398387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.398387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.398387 (E_RNA) where: Base-Base interactions energy: -1722.167 where: short stacking energy: -678.602 Base-Backbone interact. energy: -1.396 local terms energy: -639.835126 where: bonds (distance) C4'-P energy: -105.170 bonds (distance) P-C4' energy: -123.623 flat angles C4'-P-C4' energy: -123.471 flat angles P-C4'-P energy: -90.051 tors. eta vs tors. theta energy: -197.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2236.395405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.395405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.395405 (E_RNA) where: Base-Base interactions energy: -1627.759 where: short stacking energy: -617.846 Base-Backbone interact. energy: -1.855 local terms energy: -606.781585 where: bonds (distance) C4'-P energy: -86.176 bonds (distance) P-C4' energy: -116.166 flat angles C4'-P-C4' energy: -140.841 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -185.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2184.945648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.945648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.945648 (E_RNA) where: Base-Base interactions energy: -1595.942 where: short stacking energy: -608.881 Base-Backbone interact. energy: 0.916 local terms energy: -589.919934 where: bonds (distance) C4'-P energy: -99.248 bonds (distance) P-C4' energy: -99.713 flat angles C4'-P-C4' energy: -126.836 flat angles P-C4'-P energy: -90.199 tors. eta vs tors. theta energy: -173.923 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: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -2055.193544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.193544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.193544 (E_RNA) where: Base-Base interactions energy: -1472.830 where: short stacking energy: -582.176 Base-Backbone interact. energy: 0.001 local terms energy: -582.364370 where: bonds (distance) C4'-P energy: -97.077 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -127.355 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -164.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1967.993381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.993381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.993381 (E_RNA) where: Base-Base interactions energy: -1421.788 where: short stacking energy: -557.088 Base-Backbone interact. energy: -1.162 local terms energy: -545.042752 where: bonds (distance) C4'-P energy: -114.668 bonds (distance) P-C4' energy: -105.708 flat angles C4'-P-C4' energy: -105.319 flat angles P-C4'-P energy: -66.671 tors. eta vs tors. theta energy: -152.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1567.903382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.903382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.903382 (E_RNA) where: Base-Base interactions energy: -1103.398 where: short stacking energy: -445.575 Base-Backbone interact. energy: -1.614 local terms energy: -462.891014 where: bonds (distance) C4'-P energy: -77.614 bonds (distance) P-C4' energy: -94.471 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -106.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2592.157435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.157435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.157435 (E_RNA) where: Base-Base interactions energy: -1905.298 where: short stacking energy: -743.926 Base-Backbone interact. energy: -1.206 local terms energy: -685.652753 where: bonds (distance) C4'-P energy: -122.523 bonds (distance) P-C4' energy: -109.892 flat angles C4'-P-C4' energy: -144.058 flat angles P-C4'-P energy: -101.256 tors. eta vs tors. theta energy: -207.923 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: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2580.119466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.119466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.119466 (E_RNA) where: Base-Base interactions energy: -1890.189 where: short stacking energy: -731.895 Base-Backbone interact. energy: -1.974 local terms energy: -687.956569 where: bonds (distance) C4'-P energy: -108.276 bonds (distance) P-C4' energy: -120.753 flat angles C4'-P-C4' energy: -154.319 flat angles P-C4'-P energy: -93.766 tors. eta vs tors. theta energy: -210.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2497.873619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.873619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.873619 (E_RNA) where: Base-Base interactions energy: -1798.544 where: short stacking energy: -710.331 Base-Backbone interact. energy: -0.854 local terms energy: -698.476077 where: bonds (distance) C4'-P energy: -118.738 bonds (distance) P-C4' energy: -117.633 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -100.050 tors. eta vs tors. theta energy: -213.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2433.997037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.997037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.997037 (E_RNA) where: Base-Base interactions energy: -1751.919 where: short stacking energy: -694.996 Base-Backbone interact. energy: -0.806 local terms energy: -681.271898 where: bonds (distance) C4'-P energy: -107.614 bonds (distance) P-C4' energy: -123.044 flat angles C4'-P-C4' energy: -146.392 flat angles P-C4'-P energy: -91.569 tors. eta vs tors. theta energy: -212.652 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: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2330.165773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.165773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.165773 (E_RNA) where: Base-Base interactions energy: -1698.822 where: short stacking energy: -646.242 Base-Backbone interact. energy: 0.610 local terms energy: -631.953431 where: bonds (distance) C4'-P energy: -114.878 bonds (distance) P-C4' energy: -110.406 flat angles C4'-P-C4' energy: -130.562 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: -187.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2244.218068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.218068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.218068 (E_RNA) where: Base-Base interactions energy: -1626.637 where: short stacking energy: -651.831 Base-Backbone interact. energy: -1.637 local terms energy: -615.943513 where: bonds (distance) C4'-P energy: -94.233 bonds (distance) P-C4' energy: -109.014 flat angles C4'-P-C4' energy: -136.918 flat angles P-C4'-P energy: -87.301 tors. eta vs tors. theta energy: -188.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2176.173764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.173764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.173764 (E_RNA) where: Base-Base interactions energy: -1566.676 where: short stacking energy: -593.445 Base-Backbone interact. energy: -1.592 local terms energy: -607.905986 where: bonds (distance) C4'-P energy: -104.706 bonds (distance) P-C4' energy: -110.481 flat angles C4'-P-C4' energy: -133.875 flat angles P-C4'-P energy: -79.119 tors. eta vs tors. theta energy: -179.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -2048.226502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.226502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.226502 (E_RNA) where: Base-Base interactions energy: -1488.375 where: short stacking energy: -582.356 Base-Backbone interact. energy: 0.422 local terms energy: -560.273768 where: bonds (distance) C4'-P energy: -94.732 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -113.686 flat angles P-C4'-P energy: -74.080 tors. eta vs tors. theta energy: -166.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1941.286787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.286787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.286787 (E_RNA) where: Base-Base interactions energy: -1406.163 where: short stacking energy: -555.757 Base-Backbone interact. energy: 0.521 local terms energy: -535.644540 where: bonds (distance) C4'-P energy: -87.848 bonds (distance) P-C4' energy: -117.255 flat angles C4'-P-C4' energy: -121.398 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -143.033 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: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1444.241964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.241964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.241964 (E_RNA) where: Base-Base interactions energy: -986.287 where: short stacking energy: -401.572 Base-Backbone interact. energy: -2.068 local terms energy: -455.886935 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -99.944 flat angles C4'-P-C4' energy: -112.466 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -79.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2615.043133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.043133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.043133 (E_RNA) where: Base-Base interactions energy: -1905.484 where: short stacking energy: -738.765 Base-Backbone interact. energy: -3.824 local terms energy: -705.735234 where: bonds (distance) C4'-P energy: -121.953 bonds (distance) P-C4' energy: -118.640 flat angles C4'-P-C4' energy: -150.430 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -212.963 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: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2580.896570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.896570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.896570 (E_RNA) where: Base-Base interactions energy: -1882.296 where: short stacking energy: -724.672 Base-Backbone interact. energy: 1.663 local terms energy: -700.263868 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -118.488 flat angles C4'-P-C4' energy: -140.050 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -211.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2476.858867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.858867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.858867 (E_RNA) where: Base-Base interactions energy: -1792.473 where: short stacking energy: -713.593 Base-Backbone interact. energy: -0.623 local terms energy: -683.762642 where: bonds (distance) C4'-P energy: -113.858 bonds (distance) P-C4' energy: -106.749 flat angles C4'-P-C4' energy: -150.522 flat angles P-C4'-P energy: -98.128 tors. eta vs tors. theta energy: -214.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2411.790448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.790448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.790448 (E_RNA) where: Base-Base interactions energy: -1775.637 where: short stacking energy: -703.598 Base-Backbone interact. energy: -1.059 local terms energy: -635.094599 where: bonds (distance) C4'-P energy: -102.458 bonds (distance) P-C4' energy: -102.677 flat angles C4'-P-C4' energy: -133.644 flat angles P-C4'-P energy: -97.114 tors. eta vs tors. theta energy: -199.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2337.018393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.018393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.018393 (E_RNA) where: Base-Base interactions energy: -1710.487 where: short stacking energy: -662.920 Base-Backbone interact. energy: -0.242 local terms energy: -626.289042 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -104.599 flat angles C4'-P-C4' energy: -129.072 flat angles P-C4'-P energy: -93.099 tors. eta vs tors. theta energy: -197.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2224.735937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.735937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.735937 (E_RNA) where: Base-Base interactions energy: -1613.396 where: short stacking energy: -637.385 Base-Backbone interact. energy: -1.966 local terms energy: -609.374297 where: bonds (distance) C4'-P energy: -89.553 bonds (distance) P-C4' energy: -105.404 flat angles C4'-P-C4' energy: -140.865 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -182.255 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: 149 Temperature: 1.200000 Total energy: -2195.617066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.617066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.617066 (E_RNA) where: Base-Base interactions energy: -1584.084 where: short stacking energy: -603.540 Base-Backbone interact. energy: 2.360 local terms energy: -613.893003 where: bonds (distance) C4'-P energy: -96.475 bonds (distance) P-C4' energy: -110.009 flat angles C4'-P-C4' energy: -135.636 flat angles P-C4'-P energy: -85.500 tors. eta vs tors. theta energy: -186.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -2023.598753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.598753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.598753 (E_RNA) where: Base-Base interactions energy: -1482.012 where: short stacking energy: -593.774 Base-Backbone interact. energy: -1.899 local terms energy: -539.688279 where: bonds (distance) C4'-P energy: -93.524 bonds (distance) P-C4' energy: -89.269 flat angles C4'-P-C4' energy: -124.816 flat angles P-C4'-P energy: -60.930 tors. eta vs tors. theta energy: -171.151 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: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1965.941887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.941887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.941887 (E_RNA) where: Base-Base interactions energy: -1422.998 where: short stacking energy: -567.619 Base-Backbone interact. energy: 6.726 local terms energy: -549.669407 where: bonds (distance) C4'-P energy: -102.163 bonds (distance) P-C4' energy: -88.227 flat angles C4'-P-C4' energy: -121.915 flat angles P-C4'-P energy: -71.571 tors. eta vs tors. theta energy: -165.794 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: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1524.744674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.744674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.744674 (E_RNA) where: Base-Base interactions energy: -1033.610 where: short stacking energy: -429.088 Base-Backbone interact. energy: 5.702 local terms energy: -496.837364 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -102.566 flat angles C4'-P-C4' energy: -118.095 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -106.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2609.078894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.078894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.078894 (E_RNA) where: Base-Base interactions energy: -1894.157 where: short stacking energy: -731.973 Base-Backbone interact. energy: 0.262 local terms energy: -715.183673 where: bonds (distance) C4'-P energy: -125.765 bonds (distance) P-C4' energy: -129.240 flat angles C4'-P-C4' energy: -138.224 flat angles P-C4'-P energy: -107.307 tors. eta vs tors. theta energy: -214.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2540.724195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.724195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.724195 (E_RNA) where: Base-Base interactions energy: -1850.923 where: short stacking energy: -726.573 Base-Backbone interact. energy: 0.597 local terms energy: -690.398331 where: bonds (distance) C4'-P energy: -121.583 bonds (distance) P-C4' energy: -120.950 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -90.433 tors. eta vs tors. theta energy: -210.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2497.228656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.228656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.228656 (E_RNA) where: Base-Base interactions energy: -1806.556 where: short stacking energy: -703.782 Base-Backbone interact. energy: -0.044 local terms energy: -690.628479 where: bonds (distance) C4'-P energy: -112.956 bonds (distance) P-C4' energy: -122.962 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -105.250 tors. eta vs tors. theta energy: -210.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2435.074252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.074252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.074252 (E_RNA) where: Base-Base interactions energy: -1747.671 where: short stacking energy: -694.688 Base-Backbone interact. energy: -1.770 local terms energy: -685.632508 where: bonds (distance) C4'-P energy: -119.386 bonds (distance) P-C4' energy: -122.335 flat angles C4'-P-C4' energy: -139.165 flat angles P-C4'-P energy: -98.940 tors. eta vs tors. theta energy: -205.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2254.155052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.155052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.155052 (E_RNA) where: Base-Base interactions energy: -1635.747 where: short stacking energy: -632.138 Base-Backbone interact. energy: 1.158 local terms energy: -619.566300 where: bonds (distance) C4'-P energy: -102.177 bonds (distance) P-C4' energy: -103.754 flat angles C4'-P-C4' energy: -137.196 flat angles P-C4'-P energy: -92.271 tors. eta vs tors. theta energy: -184.169 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: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2273.963348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.963348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.963348 (E_RNA) where: Base-Base interactions energy: -1656.633 where: short stacking energy: -650.349 Base-Backbone interact. energy: -2.294 local terms energy: -615.035952 where: bonds (distance) C4'-P energy: -110.993 bonds (distance) P-C4' energy: -98.851 flat angles C4'-P-C4' energy: -123.552 flat angles P-C4'-P energy: -92.551 tors. eta vs tors. theta energy: -189.089 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: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2177.622303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.622303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.622303 (E_RNA) where: Base-Base interactions energy: -1569.349 where: short stacking energy: -602.460 Base-Backbone interact. energy: 2.272 local terms energy: -610.545092 where: bonds (distance) C4'-P energy: -97.159 bonds (distance) P-C4' energy: -110.410 flat angles C4'-P-C4' energy: -139.688 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -178.491 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: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -2038.408732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.408732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.408732 (E_RNA) where: Base-Base interactions energy: -1466.186 where: short stacking energy: -566.527 Base-Backbone interact. energy: -2.128 local terms energy: -570.094649 where: bonds (distance) C4'-P energy: -93.032 bonds (distance) P-C4' energy: -112.297 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -79.049 tors. eta vs tors. theta energy: -160.967 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: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1969.444231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.444231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.444231 (E_RNA) where: Base-Base interactions energy: -1423.809 where: short stacking energy: -568.403 Base-Backbone interact. energy: -0.567 local terms energy: -545.068264 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -92.420 flat angles C4'-P-C4' energy: -130.756 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -168.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1581.400101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.400101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.400101 (E_RNA) where: Base-Base interactions energy: -1089.189 where: short stacking energy: -439.865 Base-Backbone interact. energy: 3.409 local terms energy: -495.620711 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -110.804 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -71.123 tors. eta vs tors. theta energy: -102.824 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: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2613.476586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.476586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.476586 (E_RNA) where: Base-Base interactions energy: -1907.567 where: short stacking energy: -724.731 Base-Backbone interact. energy: 0.609 local terms energy: -706.518419 where: bonds (distance) C4'-P energy: -123.530 bonds (distance) P-C4' energy: -122.730 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -109.674 tors. eta vs tors. theta energy: -206.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2528.055807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.055807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.055807 (E_RNA) where: Base-Base interactions energy: -1832.127 where: short stacking energy: -722.369 Base-Backbone interact. energy: -2.765 local terms energy: -693.163370 where: bonds (distance) C4'-P energy: -122.053 bonds (distance) P-C4' energy: -119.156 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -99.016 tors. eta vs tors. theta energy: -207.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2491.360374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.360374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.360374 (E_RNA) where: Base-Base interactions energy: -1800.833 where: short stacking energy: -698.525 Base-Backbone interact. energy: -1.013 local terms energy: -689.514074 where: bonds (distance) C4'-P energy: -129.232 bonds (distance) P-C4' energy: -108.157 flat angles C4'-P-C4' energy: -148.472 flat angles P-C4'-P energy: -102.896 tors. eta vs tors. theta energy: -200.757 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: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2407.891805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.891805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.891805 (E_RNA) where: Base-Base interactions energy: -1733.550 where: short stacking energy: -680.189 Base-Backbone interact. energy: -1.453 local terms energy: -672.888863 where: bonds (distance) C4'-P energy: -105.808 bonds (distance) P-C4' energy: -122.917 flat angles C4'-P-C4' energy: -142.659 flat angles P-C4'-P energy: -103.374 tors. eta vs tors. theta energy: -198.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2270.004373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.004373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.004373 (E_RNA) where: Base-Base interactions energy: -1626.387 where: short stacking energy: -642.022 Base-Backbone interact. energy: 2.680 local terms energy: -646.297495 where: bonds (distance) C4'-P energy: -115.215 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -145.806 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -195.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2229.791473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.791473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.791473 (E_RNA) where: Base-Base interactions energy: -1618.503 where: short stacking energy: -623.395 Base-Backbone interact. energy: -1.965 local terms energy: -609.323490 where: bonds (distance) C4'-P energy: -111.852 bonds (distance) P-C4' energy: -118.038 flat angles C4'-P-C4' energy: -117.419 flat angles P-C4'-P energy: -81.523 tors. eta vs tors. theta energy: -180.492 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: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2172.089414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.089414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.089414 (E_RNA) where: Base-Base interactions energy: -1574.565 where: short stacking energy: -592.527 Base-Backbone interact. energy: 2.361 local terms energy: -599.884977 where: bonds (distance) C4'-P energy: -97.535 bonds (distance) P-C4' energy: -115.820 flat angles C4'-P-C4' energy: -122.974 flat angles P-C4'-P energy: -86.677 tors. eta vs tors. theta energy: -176.878 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: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -2066.474686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.474686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.474686 (E_RNA) where: Base-Base interactions energy: -1494.570 where: short stacking energy: -569.933 Base-Backbone interact. energy: -1.406 local terms energy: -570.498848 where: bonds (distance) C4'-P energy: -93.990 bonds (distance) P-C4' energy: -108.360 flat angles C4'-P-C4' energy: -115.588 flat angles P-C4'-P energy: -91.547 tors. eta vs tors. theta energy: -161.015 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: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1967.941685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.941685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.941685 (E_RNA) where: Base-Base interactions energy: -1430.000 where: short stacking energy: -578.077 Base-Backbone interact. energy: -0.170 local terms energy: -537.772591 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -92.737 flat angles C4'-P-C4' energy: -108.090 flat angles P-C4'-P energy: -87.034 tors. eta vs tors. theta energy: -153.866 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1584.948404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.948404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.948404 (E_RNA) where: Base-Base interactions energy: -1100.284 where: short stacking energy: -430.487 Base-Backbone interact. energy: 0.868 local terms energy: -485.532089 where: bonds (distance) C4'-P energy: -92.410 bonds (distance) P-C4' energy: -117.434 flat angles C4'-P-C4' energy: -99.413 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: -108.790 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: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2627.901984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.901984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.901984 (E_RNA) where: Base-Base interactions energy: -1928.420 where: short stacking energy: -742.208 Base-Backbone interact. energy: 0.320 local terms energy: -699.802772 where: bonds (distance) C4'-P energy: -129.172 bonds (distance) P-C4' energy: -109.255 flat angles C4'-P-C4' energy: -149.551 flat angles P-C4'-P energy: -99.175 tors. eta vs tors. theta energy: -212.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2556.251583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.251583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.251583 (E_RNA) where: Base-Base interactions energy: -1873.006 where: short stacking energy: -751.302 Base-Backbone interact. energy: -1.432 local terms energy: -681.813618 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -113.866 flat angles C4'-P-C4' energy: -145.106 flat angles P-C4'-P energy: -84.545 tors. eta vs tors. theta energy: -219.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2502.604175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.604175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.604175 (E_RNA) where: Base-Base interactions energy: -1831.851 where: short stacking energy: -679.679 Base-Backbone interact. energy: 1.383 local terms energy: -672.136696 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -113.152 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -98.399 tors. eta vs tors. theta energy: -199.809 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: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2431.984788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.984788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.984788 (E_RNA) where: Base-Base interactions energy: -1770.798 where: short stacking energy: -707.850 Base-Backbone interact. energy: -0.752 local terms energy: -660.435225 where: bonds (distance) C4'-P energy: -111.261 bonds (distance) P-C4' energy: -120.324 flat angles C4'-P-C4' energy: -135.630 flat angles P-C4'-P energy: -87.854 tors. eta vs tors. theta energy: -205.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2280.328418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.328418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.328418 (E_RNA) where: Base-Base interactions energy: -1647.324 where: short stacking energy: -641.020 Base-Backbone interact. energy: -0.691 local terms energy: -632.314054 where: bonds (distance) C4'-P energy: -120.817 bonds (distance) P-C4' energy: -109.085 flat angles C4'-P-C4' energy: -134.438 flat angles P-C4'-P energy: -72.221 tors. eta vs tors. theta energy: -195.753 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: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2267.619658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.619658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.619658 (E_RNA) where: Base-Base interactions energy: -1647.236 where: short stacking energy: -635.640 Base-Backbone interact. energy: -1.451 local terms energy: -618.932561 where: bonds (distance) C4'-P energy: -84.659 bonds (distance) P-C4' energy: -110.812 flat angles C4'-P-C4' energy: -141.610 flat angles P-C4'-P energy: -90.349 tors. eta vs tors. theta energy: -191.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2115.607913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.607913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.607913 (E_RNA) where: Base-Base interactions energy: -1513.019 where: short stacking energy: -591.281 Base-Backbone interact. energy: -0.938 local terms energy: -601.651461 where: bonds (distance) C4'-P energy: -105.298 bonds (distance) P-C4' energy: -102.194 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -85.396 tors. eta vs tors. theta energy: -181.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2133.834469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.834469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.834469 (E_RNA) where: Base-Base interactions energy: -1550.729 where: short stacking energy: -593.804 Base-Backbone interact. energy: 4.620 local terms energy: -587.725548 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -99.443 flat angles C4'-P-C4' energy: -136.501 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: -171.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1957.282008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.282008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.282008 (E_RNA) where: Base-Base interactions energy: -1396.857 where: short stacking energy: -566.935 Base-Backbone interact. energy: -2.809 local terms energy: -557.615815 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -108.198 flat angles C4'-P-C4' energy: -116.940 flat angles P-C4'-P energy: -77.302 tors. eta vs tors. theta energy: -165.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1678.150739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.150739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.150739 (E_RNA) where: Base-Base interactions energy: -1221.059 where: short stacking energy: -471.355 Base-Backbone interact. energy: -0.738 local terms energy: -456.352894 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -95.961 flat angles C4'-P-C4' energy: -106.358 flat angles P-C4'-P energy: -61.219 tors. eta vs tors. theta energy: -113.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2612.219943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.219943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.219943 (E_RNA) where: Base-Base interactions energy: -1885.152 where: short stacking energy: -727.167 Base-Backbone interact. energy: 0.929 local terms energy: -727.996941 where: bonds (distance) C4'-P energy: -130.936 bonds (distance) P-C4' energy: -136.696 flat angles C4'-P-C4' energy: -146.860 flat angles P-C4'-P energy: -105.518 tors. eta vs tors. theta energy: -207.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2538.518351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.518351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.518351 (E_RNA) where: Base-Base interactions energy: -1843.555 where: short stacking energy: -737.453 Base-Backbone interact. energy: -1.533 local terms energy: -693.430480 where: bonds (distance) C4'-P energy: -104.991 bonds (distance) P-C4' energy: -119.886 flat angles C4'-P-C4' energy: -148.406 flat angles P-C4'-P energy: -108.297 tors. eta vs tors. theta energy: -211.851 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: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2527.528659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.528659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.528659 (E_RNA) where: Base-Base interactions energy: -1833.209 where: short stacking energy: -700.146 Base-Backbone interact. energy: -2.847 local terms energy: -691.472808 where: bonds (distance) C4'-P energy: -113.316 bonds (distance) P-C4' energy: -132.328 flat angles C4'-P-C4' energy: -141.636 flat angles P-C4'-P energy: -95.677 tors. eta vs tors. theta energy: -208.517 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: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2413.665838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.665838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.665838 (E_RNA) where: Base-Base interactions energy: -1753.458 where: short stacking energy: -707.387 Base-Backbone interact. energy: 2.690 local terms energy: -662.898629 where: bonds (distance) C4'-P energy: -103.206 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -139.128 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -203.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2262.631680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.631680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.631680 (E_RNA) where: Base-Base interactions energy: -1646.543 where: short stacking energy: -625.357 Base-Backbone interact. energy: -1.830 local terms energy: -614.258745 where: bonds (distance) C4'-P energy: -106.021 bonds (distance) P-C4' energy: -110.296 flat angles C4'-P-C4' energy: -129.297 flat angles P-C4'-P energy: -94.825 tors. eta vs tors. theta energy: -173.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2285.292733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.292733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.292733 (E_RNA) where: Base-Base interactions energy: -1666.892 where: short stacking energy: -641.992 Base-Backbone interact. energy: -0.828 local terms energy: -617.573015 where: bonds (distance) C4'-P energy: -116.842 bonds (distance) P-C4' energy: -105.402 flat angles C4'-P-C4' energy: -128.589 flat angles P-C4'-P energy: -75.811 tors. eta vs tors. theta energy: -190.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2114.090608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.090608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.090608 (E_RNA) where: Base-Base interactions energy: -1535.209 where: short stacking energy: -586.010 Base-Backbone interact. energy: -2.931 local terms energy: -575.950263 where: bonds (distance) C4'-P energy: -87.146 bonds (distance) P-C4' energy: -90.590 flat angles C4'-P-C4' energy: -129.841 flat angles P-C4'-P energy: -95.005 tors. eta vs tors. theta energy: -173.369 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: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -2096.471067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.471067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.471067 (E_RNA) where: Base-Base interactions energy: -1509.329 where: short stacking energy: -567.349 Base-Backbone interact. energy: -0.566 local terms energy: -586.576553 where: bonds (distance) C4'-P energy: -107.750 bonds (distance) P-C4' energy: -118.549 flat angles C4'-P-C4' energy: -121.363 flat angles P-C4'-P energy: -77.666 tors. eta vs tors. theta energy: -161.248 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: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1935.960720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.960720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.960720 (E_RNA) where: Base-Base interactions energy: -1388.236 where: short stacking energy: -565.212 Base-Backbone interact. energy: -1.685 local terms energy: -546.039764 where: bonds (distance) C4'-P energy: -97.047 bonds (distance) P-C4' energy: -90.198 flat angles C4'-P-C4' energy: -129.233 flat angles P-C4'-P energy: -80.372 tors. eta vs tors. theta energy: -149.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1723.391968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.391968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.391968 (E_RNA) where: Base-Base interactions energy: -1212.055 where: short stacking energy: -475.819 Base-Backbone interact. energy: -2.291 local terms energy: -509.046173 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -89.346 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -82.055 tors. eta vs tors. theta energy: -128.493 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: 154 Temperature: 0.900000 Total energy: -2620.868957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.868957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.868957 (E_RNA) where: Base-Base interactions energy: -1921.713 where: short stacking energy: -738.361 Base-Backbone interact. energy: -0.646 local terms energy: -698.510015 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -120.166 flat angles C4'-P-C4' energy: -153.643 flat angles P-C4'-P energy: -104.939 tors. eta vs tors. theta energy: -212.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2549.938644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.938644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.938644 (E_RNA) where: Base-Base interactions energy: -1839.195 where: short stacking energy: -731.417 Base-Backbone interact. energy: -0.482 local terms energy: -710.261457 where: bonds (distance) C4'-P energy: -133.068 bonds (distance) P-C4' energy: -117.473 flat angles C4'-P-C4' energy: -136.832 flat angles P-C4'-P energy: -107.845 tors. eta vs tors. theta energy: -215.043 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: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2511.198300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.198300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.198300 (E_RNA) where: Base-Base interactions energy: -1841.063 where: short stacking energy: -698.423 Base-Backbone interact. energy: 1.870 local terms energy: -672.005297 where: bonds (distance) C4'-P energy: -119.310 bonds (distance) P-C4' energy: -118.127 flat angles C4'-P-C4' energy: -129.172 flat angles P-C4'-P energy: -99.077 tors. eta vs tors. theta energy: -206.320 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: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2425.810576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.810576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.810576 (E_RNA) where: Base-Base interactions energy: -1761.952 where: short stacking energy: -710.897 Base-Backbone interact. energy: -2.207 local terms energy: -661.651255 where: bonds (distance) C4'-P energy: -107.120 bonds (distance) P-C4' energy: -105.935 flat angles C4'-P-C4' energy: -133.125 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -215.116 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: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2275.837711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.837711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.837711 (E_RNA) where: Base-Base interactions energy: -1635.966 where: short stacking energy: -619.600 Base-Backbone interact. energy: 1.807 local terms energy: -641.678223 where: bonds (distance) C4'-P energy: -117.010 bonds (distance) P-C4' energy: -112.061 flat angles C4'-P-C4' energy: -145.879 flat angles P-C4'-P energy: -87.394 tors. eta vs tors. theta energy: -179.334 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2263.179746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.179746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.179746 (E_RNA) where: Base-Base interactions energy: -1663.007 where: short stacking energy: -651.400 Base-Backbone interact. energy: -1.036 local terms energy: -599.137394 where: bonds (distance) C4'-P energy: -94.506 bonds (distance) P-C4' energy: -100.197 flat angles C4'-P-C4' energy: -132.756 flat angles P-C4'-P energy: -85.207 tors. eta vs tors. theta energy: -186.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2142.023623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.023623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.023623 (E_RNA) where: Base-Base interactions energy: -1557.398 where: short stacking energy: -601.661 Base-Backbone interact. energy: 0.771 local terms energy: -585.396573 where: bonds (distance) C4'-P energy: -112.958 bonds (distance) P-C4' energy: -86.746 flat angles C4'-P-C4' energy: -125.235 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -169.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -2049.082155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.082155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.082155 (E_RNA) where: Base-Base interactions energy: -1471.480 where: short stacking energy: -588.138 Base-Backbone interact. energy: -1.398 local terms energy: -576.203614 where: bonds (distance) C4'-P energy: -109.612 bonds (distance) P-C4' energy: -107.613 flat angles C4'-P-C4' energy: -119.482 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: -174.984 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: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1959.730293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.730293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.730293 (E_RNA) where: Base-Base interactions energy: -1417.474 where: short stacking energy: -531.149 Base-Backbone interact. energy: -0.564 local terms energy: -541.692161 where: bonds (distance) C4'-P energy: -99.728 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -118.221 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -156.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1739.457348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.457348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.457348 (E_RNA) where: Base-Base interactions energy: -1217.843 where: short stacking energy: -475.243 Base-Backbone interact. energy: 4.670 local terms energy: -526.284118 where: bonds (distance) C4'-P energy: -99.585 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -126.195 flat angles P-C4'-P energy: -72.033 tors. eta vs tors. theta energy: -110.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2605.831717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.831717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.831717 (E_RNA) where: Base-Base interactions energy: -1892.424 where: short stacking energy: -737.502 Base-Backbone interact. energy: 0.813 local terms energy: -714.220453 where: bonds (distance) C4'-P energy: -108.576 bonds (distance) P-C4' energy: -131.809 flat angles C4'-P-C4' energy: -153.082 flat angles P-C4'-P energy: -107.731 tors. eta vs tors. theta energy: -213.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2541.173603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.173603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.173603 (E_RNA) where: Base-Base interactions energy: -1836.521 where: short stacking energy: -701.291 Base-Backbone interact. energy: -3.307 local terms energy: -701.345563 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -123.730 flat angles C4'-P-C4' energy: -147.264 flat angles P-C4'-P energy: -100.314 tors. eta vs tors. theta energy: -204.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2531.022722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.022722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.022722 (E_RNA) where: Base-Base interactions energy: -1851.967 where: short stacking energy: -731.634 Base-Backbone interact. energy: -1.070 local terms energy: -677.986520 where: bonds (distance) C4'-P energy: -116.938 bonds (distance) P-C4' energy: -103.160 flat angles C4'-P-C4' energy: -149.706 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -212.547 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: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2425.815522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.815522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.815522 (E_RNA) where: Base-Base interactions energy: -1729.006 where: short stacking energy: -685.360 Base-Backbone interact. energy: -1.595 local terms energy: -695.214727 where: bonds (distance) C4'-P energy: -119.722 bonds (distance) P-C4' energy: -131.669 flat angles C4'-P-C4' energy: -145.997 flat angles P-C4'-P energy: -94.994 tors. eta vs tors. theta energy: -202.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2277.349223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.349223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.349223 (E_RNA) where: Base-Base interactions energy: -1634.806 where: short stacking energy: -628.148 Base-Backbone interact. energy: 0.236 local terms energy: -642.779432 where: bonds (distance) C4'-P energy: -109.536 bonds (distance) P-C4' energy: -129.055 flat angles C4'-P-C4' energy: -132.894 flat angles P-C4'-P energy: -93.481 tors. eta vs tors. theta energy: -177.814 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2306.805596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.805596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.805596 (E_RNA) where: Base-Base interactions energy: -1675.999 where: short stacking energy: -662.493 Base-Backbone interact. energy: -1.341 local terms energy: -629.465825 where: bonds (distance) C4'-P energy: -102.366 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -129.223 flat angles P-C4'-P energy: -78.364 tors. eta vs tors. theta energy: -203.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2171.772226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.772226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.772226 (E_RNA) where: Base-Base interactions energy: -1576.360 where: short stacking energy: -590.022 Base-Backbone interact. energy: 2.165 local terms energy: -597.577195 where: bonds (distance) C4'-P energy: -98.780 bonds (distance) P-C4' energy: -108.863 flat angles C4'-P-C4' energy: -135.138 flat angles P-C4'-P energy: -78.603 tors. eta vs tors. theta energy: -176.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -2083.426698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.426698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.426698 (E_RNA) where: Base-Base interactions energy: -1510.467 where: short stacking energy: -585.925 Base-Backbone interact. energy: 1.173 local terms energy: -574.132217 where: bonds (distance) C4'-P energy: -100.210 bonds (distance) P-C4' energy: -109.778 flat angles C4'-P-C4' energy: -118.669 flat angles P-C4'-P energy: -81.042 tors. eta vs tors. theta energy: -164.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1984.689139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.689139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.689139 (E_RNA) where: Base-Base interactions energy: -1424.226 where: short stacking energy: -551.790 Base-Backbone interact. energy: 1.801 local terms energy: -562.263925 where: bonds (distance) C4'-P energy: -95.646 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -118.841 flat angles P-C4'-P energy: -82.267 tors. eta vs tors. theta energy: -170.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1813.569921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.569921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.569921 (E_RNA) where: Base-Base interactions energy: -1314.904 where: short stacking energy: -513.869 Base-Backbone interact. energy: -1.862 local terms energy: -496.804108 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -106.930 flat angles P-C4'-P energy: -62.787 tors. eta vs tors. theta energy: -133.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2612.589477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.589477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.589477 (E_RNA) where: Base-Base interactions energy: -1902.730 where: short stacking energy: -741.094 Base-Backbone interact. energy: -2.213 local terms energy: -707.646115 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -144.668 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -209.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2535.195865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.195865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.195865 (E_RNA) where: Base-Base interactions energy: -1839.101 where: short stacking energy: -708.427 Base-Backbone interact. energy: 0.366 local terms energy: -696.460904 where: bonds (distance) C4'-P energy: -124.594 bonds (distance) P-C4' energy: -100.993 flat angles C4'-P-C4' energy: -153.784 flat angles P-C4'-P energy: -105.187 tors. eta vs tors. theta energy: -211.903 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: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2508.981655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.981655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.981655 (E_RNA) where: Base-Base interactions energy: -1828.835 where: short stacking energy: -717.669 Base-Backbone interact. energy: -1.368 local terms energy: -678.778996 where: bonds (distance) C4'-P energy: -112.942 bonds (distance) P-C4' energy: -114.128 flat angles C4'-P-C4' energy: -143.262 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -211.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2426.110044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.110044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.110044 (E_RNA) where: Base-Base interactions energy: -1770.451 where: short stacking energy: -728.302 Base-Backbone interact. energy: -1.774 local terms energy: -653.884681 where: bonds (distance) C4'-P energy: -112.936 bonds (distance) P-C4' energy: -121.414 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -95.237 tors. eta vs tors. theta energy: -202.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2337.655775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.655775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.655775 (E_RNA) where: Base-Base interactions energy: -1696.578 where: short stacking energy: -649.313 Base-Backbone interact. energy: -0.884 local terms energy: -640.194232 where: bonds (distance) C4'-P energy: -111.493 bonds (distance) P-C4' energy: -116.863 flat angles C4'-P-C4' energy: -136.856 flat angles P-C4'-P energy: -87.603 tors. eta vs tors. theta energy: -187.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2271.622130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.622130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.622130 (E_RNA) where: Base-Base interactions energy: -1673.004 where: short stacking energy: -643.674 Base-Backbone interact. energy: 0.867 local terms energy: -599.485542 where: bonds (distance) C4'-P energy: -97.368 bonds (distance) P-C4' energy: -107.343 flat angles C4'-P-C4' energy: -127.602 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -186.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2210.218663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.218663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.218663 (E_RNA) where: Base-Base interactions energy: -1606.521 where: short stacking energy: -619.563 Base-Backbone interact. energy: 2.641 local terms energy: -606.338388 where: bonds (distance) C4'-P energy: -96.143 bonds (distance) P-C4' energy: -115.675 flat angles C4'-P-C4' energy: -121.872 flat angles P-C4'-P energy: -97.841 tors. eta vs tors. theta energy: -174.807 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: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -2104.478079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.478079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.478079 (E_RNA) where: Base-Base interactions energy: -1504.407 where: short stacking energy: -596.232 Base-Backbone interact. energy: -0.073 local terms energy: -599.997862 where: bonds (distance) C4'-P energy: -104.373 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -139.831 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -174.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -2103.602072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.602072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.602072 (E_RNA) where: Base-Base interactions energy: -1521.848 where: short stacking energy: -598.958 Base-Backbone interact. energy: -0.792 local terms energy: -580.961834 where: bonds (distance) C4'-P energy: -100.057 bonds (distance) P-C4' energy: -88.091 flat angles C4'-P-C4' energy: -126.416 flat angles P-C4'-P energy: -93.320 tors. eta vs tors. theta energy: -173.079 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: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1827.770136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.770136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.770136 (E_RNA) where: Base-Base interactions energy: -1310.751 where: short stacking energy: -510.351 Base-Backbone interact. energy: -2.353 local terms energy: -514.666280 where: bonds (distance) C4'-P energy: -88.499 bonds (distance) P-C4' energy: -100.933 flat angles C4'-P-C4' energy: -115.839 flat angles P-C4'-P energy: -69.696 tors. eta vs tors. theta energy: -139.699 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: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2626.723045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.723045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.723045 (E_RNA) where: Base-Base interactions energy: -1918.361 where: short stacking energy: -745.455 Base-Backbone interact. energy: -0.813 local terms energy: -707.549036 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -120.205 flat angles C4'-P-C4' energy: -148.747 flat angles P-C4'-P energy: -102.401 tors. eta vs tors. theta energy: -208.696 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: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2560.612465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.612465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.612465 (E_RNA) where: Base-Base interactions energy: -1877.000 where: short stacking energy: -722.663 Base-Backbone interact. energy: -1.994 local terms energy: -681.619042 where: bonds (distance) C4'-P energy: -122.655 bonds (distance) P-C4' energy: -114.750 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -93.066 tors. eta vs tors. theta energy: -210.852 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: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2527.983565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.983565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.983565 (E_RNA) where: Base-Base interactions energy: -1840.355 where: short stacking energy: -735.512 Base-Backbone interact. energy: 1.228 local terms energy: -688.856006 where: bonds (distance) C4'-P energy: -109.163 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -146.330 flat angles P-C4'-P energy: -96.037 tors. eta vs tors. theta energy: -217.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2433.426685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.426685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.426685 (E_RNA) where: Base-Base interactions energy: -1761.162 where: short stacking energy: -729.095 Base-Backbone interact. energy: -1.943 local terms energy: -670.321284 where: bonds (distance) C4'-P energy: -97.679 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -143.464 flat angles P-C4'-P energy: -101.932 tors. eta vs tors. theta energy: -210.207 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: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2360.511976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.511976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.511976 (E_RNA) where: Base-Base interactions energy: -1706.676 where: short stacking energy: -670.356 Base-Backbone interact. energy: -0.075 local terms energy: -653.760987 where: bonds (distance) C4'-P energy: -112.990 bonds (distance) P-C4' energy: -123.153 flat angles C4'-P-C4' energy: -131.483 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -191.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2233.527974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.527974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.527974 (E_RNA) where: Base-Base interactions energy: -1616.730 where: short stacking energy: -638.589 Base-Backbone interact. energy: 4.345 local terms energy: -621.143499 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -109.994 flat angles C4'-P-C4' energy: -133.276 flat angles P-C4'-P energy: -92.178 tors. eta vs tors. theta energy: -192.580 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: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2201.045086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.045086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.045086 (E_RNA) where: Base-Base interactions energy: -1577.058 where: short stacking energy: -588.965 Base-Backbone interact. energy: -1.277 local terms energy: -622.710198 where: bonds (distance) C4'-P energy: -109.798 bonds (distance) P-C4' energy: -111.121 flat angles C4'-P-C4' energy: -137.454 flat angles P-C4'-P energy: -88.962 tors. eta vs tors. theta energy: -175.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -2111.891967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.891967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.891967 (E_RNA) where: Base-Base interactions energy: -1545.504 where: short stacking energy: -587.626 Base-Backbone interact. energy: -1.350 local terms energy: -565.037917 where: bonds (distance) C4'-P energy: -100.521 bonds (distance) P-C4' energy: -88.084 flat angles C4'-P-C4' energy: -116.297 flat angles P-C4'-P energy: -89.549 tors. eta vs tors. theta energy: -170.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -2035.149974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.149974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.149974 (E_RNA) where: Base-Base interactions energy: -1491.419 where: short stacking energy: -586.364 Base-Backbone interact. energy: 1.441 local terms energy: -545.172353 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -96.054 flat angles C4'-P-C4' energy: -110.892 flat angles P-C4'-P energy: -77.164 tors. eta vs tors. theta energy: -169.154 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: 157 Temperature: 1.350000 Total energy: -1901.276538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.276538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.276538 (E_RNA) where: Base-Base interactions energy: -1363.634 where: short stacking energy: -538.706 Base-Backbone interact. energy: -1.259 local terms energy: -536.383682 where: bonds (distance) C4'-P energy: -95.364 bonds (distance) P-C4' energy: -107.539 flat angles C4'-P-C4' energy: -98.447 flat angles P-C4'-P energy: -73.221 tors. eta vs tors. theta energy: -161.812 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: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2654.098878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.098878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.098878 (E_RNA) where: Base-Base interactions energy: -1960.081 where: short stacking energy: -752.016 Base-Backbone interact. energy: -2.272 local terms energy: -691.745246 where: bonds (distance) C4'-P energy: -107.128 bonds (distance) P-C4' energy: -127.918 flat angles C4'-P-C4' energy: -145.389 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -211.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2562.748833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.748833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.748833 (E_RNA) where: Base-Base interactions energy: -1863.853 where: short stacking energy: -721.250 Base-Backbone interact. energy: -1.542 local terms energy: -697.353364 where: bonds (distance) C4'-P energy: -113.726 bonds (distance) P-C4' energy: -123.447 flat angles C4'-P-C4' energy: -147.931 flat angles P-C4'-P energy: -99.901 tors. eta vs tors. theta energy: -212.348 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: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2511.035629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.035629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.035629 (E_RNA) where: Base-Base interactions energy: -1823.128 where: short stacking energy: -717.652 Base-Backbone interact. energy: -0.631 local terms energy: -687.276925 where: bonds (distance) C4'-P energy: -114.014 bonds (distance) P-C4' energy: -118.782 flat angles C4'-P-C4' energy: -138.395 flat angles P-C4'-P energy: -102.325 tors. eta vs tors. theta energy: -213.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2417.016493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.016493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.016493 (E_RNA) where: Base-Base interactions energy: -1747.531 where: short stacking energy: -694.592 Base-Backbone interact. energy: 1.571 local terms energy: -671.056772 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -116.697 flat angles C4'-P-C4' energy: -149.488 flat angles P-C4'-P energy: -100.537 tors. eta vs tors. theta energy: -207.620 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: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2326.817874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.817874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.817874 (E_RNA) where: Base-Base interactions energy: -1690.622 where: short stacking energy: -651.212 Base-Backbone interact. energy: -2.440 local terms energy: -633.755151 where: bonds (distance) C4'-P energy: -115.686 bonds (distance) P-C4' energy: -111.163 flat angles C4'-P-C4' energy: -126.482 flat angles P-C4'-P energy: -90.266 tors. eta vs tors. theta energy: -190.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2225.034361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.034361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.034361 (E_RNA) where: Base-Base interactions energy: -1580.034 where: short stacking energy: -595.423 Base-Backbone interact. energy: -1.264 local terms energy: -643.736435 where: bonds (distance) C4'-P energy: -114.089 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -135.947 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -181.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2202.384832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.384832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.384832 (E_RNA) where: Base-Base interactions energy: -1625.532 where: short stacking energy: -610.019 Base-Backbone interact. energy: -1.769 local terms energy: -575.083178 where: bonds (distance) C4'-P energy: -101.308 bonds (distance) P-C4' energy: -101.424 flat angles C4'-P-C4' energy: -126.618 flat angles P-C4'-P energy: -78.706 tors. eta vs tors. theta energy: -167.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2125.201795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.201795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.201795 (E_RNA) where: Base-Base interactions energy: -1547.959 where: short stacking energy: -594.803 Base-Backbone interact. energy: -1.119 local terms energy: -576.123544 where: bonds (distance) C4'-P energy: -95.988 bonds (distance) P-C4' energy: -105.181 flat angles C4'-P-C4' energy: -117.698 flat angles P-C4'-P energy: -82.427 tors. eta vs tors. theta energy: -174.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -2040.528973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.528973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.528973 (E_RNA) where: Base-Base interactions energy: -1459.929 where: short stacking energy: -597.439 Base-Backbone interact. energy: -1.871 local terms energy: -578.728511 where: bonds (distance) C4'-P energy: -101.304 bonds (distance) P-C4' energy: -100.823 flat angles C4'-P-C4' energy: -128.232 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -168.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1843.315429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.315429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.315429 (E_RNA) where: Base-Base interactions energy: -1308.345 where: short stacking energy: -521.635 Base-Backbone interact. energy: -1.171 local terms energy: -533.798940 where: bonds (distance) C4'-P energy: -103.957 bonds (distance) P-C4' energy: -93.171 flat angles C4'-P-C4' energy: -123.675 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -146.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2610.659850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.659850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.659850 (E_RNA) where: Base-Base interactions energy: -1903.287 where: short stacking energy: -734.552 Base-Backbone interact. energy: -0.327 local terms energy: -707.046508 where: bonds (distance) C4'-P energy: -118.776 bonds (distance) P-C4' energy: -131.348 flat angles C4'-P-C4' energy: -146.465 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -212.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2573.985480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.985480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.985480 (E_RNA) where: Base-Base interactions energy: -1879.335 where: short stacking energy: -734.558 Base-Backbone interact. energy: -2.716 local terms energy: -691.934704 where: bonds (distance) C4'-P energy: -116.005 bonds (distance) P-C4' energy: -127.554 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -92.444 tors. eta vs tors. theta energy: -214.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2493.502665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.502665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.502665 (E_RNA) where: Base-Base interactions energy: -1806.927 where: short stacking energy: -719.295 Base-Backbone interact. energy: -1.962 local terms energy: -684.613426 where: bonds (distance) C4'-P energy: -98.556 bonds (distance) P-C4' energy: -121.806 flat angles C4'-P-C4' energy: -150.062 flat angles P-C4'-P energy: -97.965 tors. eta vs tors. theta energy: -216.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2440.486570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.486570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.486570 (E_RNA) where: Base-Base interactions energy: -1747.393 where: short stacking energy: -703.553 Base-Backbone interact. energy: -2.721 local terms energy: -690.372990 where: bonds (distance) C4'-P energy: -117.870 bonds (distance) P-C4' energy: -126.699 flat angles C4'-P-C4' energy: -151.086 flat angles P-C4'-P energy: -96.280 tors. eta vs tors. theta energy: -198.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2318.521271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.521271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.521271 (E_RNA) where: Base-Base interactions energy: -1687.597 where: short stacking energy: -665.377 Base-Backbone interact. energy: -2.076 local terms energy: -628.847857 where: bonds (distance) C4'-P energy: -111.995 bonds (distance) P-C4' energy: -105.512 flat angles C4'-P-C4' energy: -131.003 flat angles P-C4'-P energy: -90.776 tors. eta vs tors. theta energy: -189.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2271.385973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.385973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.385973 (E_RNA) where: Base-Base interactions energy: -1652.286 where: short stacking energy: -621.079 Base-Backbone interact. energy: 3.372 local terms energy: -622.472215 where: bonds (distance) C4'-P energy: -107.164 bonds (distance) P-C4' energy: -120.193 flat angles C4'-P-C4' energy: -132.481 flat angles P-C4'-P energy: -78.107 tors. eta vs tors. theta energy: -184.528 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: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2202.551619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.551619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.551619 (E_RNA) where: Base-Base interactions energy: -1580.688 where: short stacking energy: -590.514 Base-Backbone interact. energy: -0.264 local terms energy: -621.599500 where: bonds (distance) C4'-P energy: -97.112 bonds (distance) P-C4' energy: -101.800 flat angles C4'-P-C4' energy: -137.329 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -179.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -2083.191966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.191966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.191966 (E_RNA) where: Base-Base interactions energy: -1478.946 where: short stacking energy: -595.990 Base-Backbone interact. energy: -1.005 local terms energy: -603.240173 where: bonds (distance) C4'-P energy: -102.502 bonds (distance) P-C4' energy: -108.259 flat angles C4'-P-C4' energy: -137.378 flat angles P-C4'-P energy: -83.296 tors. eta vs tors. theta energy: -171.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -2050.128483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.128483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.128483 (E_RNA) where: Base-Base interactions energy: -1503.507 where: short stacking energy: -576.231 Base-Backbone interact. energy: -1.272 local terms energy: -545.349595 where: bonds (distance) C4'-P energy: -90.658 bonds (distance) P-C4' energy: -107.101 flat angles C4'-P-C4' energy: -113.512 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -158.068 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1839.240315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.240315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.240315 (E_RNA) where: Base-Base interactions energy: -1318.262 where: short stacking energy: -506.705 Base-Backbone interact. energy: 1.330 local terms energy: -522.308217 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -89.671 flat angles C4'-P-C4' energy: -114.692 flat angles P-C4'-P energy: -76.455 tors. eta vs tors. theta energy: -149.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2616.728750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.728750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.728750 (E_RNA) where: Base-Base interactions energy: -1878.448 where: short stacking energy: -736.587 Base-Backbone interact. energy: -6.924 local terms energy: -731.356501 where: bonds (distance) C4'-P energy: -134.102 bonds (distance) P-C4' energy: -123.419 flat angles C4'-P-C4' energy: -150.363 flat angles P-C4'-P energy: -111.111 tors. eta vs tors. theta energy: -212.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2566.217419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.217419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.217419 (E_RNA) where: Base-Base interactions energy: -1861.701 where: short stacking energy: -717.190 Base-Backbone interact. energy: -1.035 local terms energy: -703.480822 where: bonds (distance) C4'-P energy: -124.425 bonds (distance) P-C4' energy: -126.715 flat angles C4'-P-C4' energy: -143.932 flat angles P-C4'-P energy: -93.903 tors. eta vs tors. theta energy: -214.506 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: 160 Temperature: 1.000000 Total energy: -2505.800153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.800153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.800153 (E_RNA) where: Base-Base interactions energy: -1808.605 where: short stacking energy: -715.693 Base-Backbone interact. energy: -1.216 local terms energy: -695.979072 where: bonds (distance) C4'-P energy: -109.654 bonds (distance) P-C4' energy: -131.808 flat angles C4'-P-C4' energy: -149.009 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -210.640 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: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2436.276403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.276403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.276403 (E_RNA) where: Base-Base interactions energy: -1764.311 where: short stacking energy: -711.461 Base-Backbone interact. energy: 2.982 local terms energy: -674.946988 where: bonds (distance) C4'-P energy: -110.383 bonds (distance) P-C4' energy: -109.752 flat angles C4'-P-C4' energy: -146.187 flat angles P-C4'-P energy: -97.817 tors. eta vs tors. theta energy: -210.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2288.563525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.563525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.563525 (E_RNA) where: Base-Base interactions energy: -1671.292 where: short stacking energy: -631.774 Base-Backbone interact. energy: -2.461 local terms energy: -614.810528 where: bonds (distance) C4'-P energy: -93.106 bonds (distance) P-C4' energy: -125.860 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -180.128 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: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2310.588720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.588720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.588720 (E_RNA) where: Base-Base interactions energy: -1666.815 where: short stacking energy: -652.153 Base-Backbone interact. energy: -1.240 local terms energy: -642.533828 where: bonds (distance) C4'-P energy: -103.969 bonds (distance) P-C4' energy: -120.444 flat angles C4'-P-C4' energy: -129.869 flat angles P-C4'-P energy: -102.528 tors. eta vs tors. theta energy: -185.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2114.729386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.729386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.729386 (E_RNA) where: Base-Base interactions energy: -1548.174 where: short stacking energy: -603.414 Base-Backbone interact. energy: 1.269 local terms energy: -567.824708 where: bonds (distance) C4'-P energy: -86.781 bonds (distance) P-C4' energy: -95.355 flat angles C4'-P-C4' energy: -131.997 flat angles P-C4'-P energy: -86.513 tors. eta vs tors. theta energy: -167.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2139.493282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.493282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.493282 (E_RNA) where: Base-Base interactions energy: -1553.839 where: short stacking energy: -580.283 Base-Backbone interact. energy: 3.084 local terms energy: -588.738205 where: bonds (distance) C4'-P energy: -100.106 bonds (distance) P-C4' energy: -109.852 flat angles C4'-P-C4' energy: -126.868 flat angles P-C4'-P energy: -83.339 tors. eta vs tors. theta energy: -168.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -2036.548614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.548614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.548614 (E_RNA) where: Base-Base interactions energy: -1471.566 where: short stacking energy: -577.164 Base-Backbone interact. energy: 2.777 local terms energy: -567.759416 where: bonds (distance) C4'-P energy: -104.261 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -122.374 flat angles P-C4'-P energy: -80.332 tors. eta vs tors. theta energy: -158.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1836.057895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.057895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.057895 (E_RNA) where: Base-Base interactions energy: -1353.555 where: short stacking energy: -534.322 Base-Backbone interact. energy: -2.154 local terms energy: -480.348958 where: bonds (distance) C4'-P energy: -72.013 bonds (distance) P-C4' energy: -85.752 flat angles C4'-P-C4' energy: -111.867 flat angles P-C4'-P energy: -62.793 tors. eta vs tors. theta energy: -147.925 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: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2603.409919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.409919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.409919 (E_RNA) where: Base-Base interactions energy: -1892.633 where: short stacking energy: -727.077 Base-Backbone interact. energy: -2.368 local terms energy: -708.409100 where: bonds (distance) C4'-P energy: -127.108 bonds (distance) P-C4' energy: -124.549 flat angles C4'-P-C4' energy: -147.987 flat angles P-C4'-P energy: -102.218 tors. eta vs tors. theta energy: -206.547 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: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2583.605069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.605069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.605069 (E_RNA) where: Base-Base interactions energy: -1881.484 where: short stacking energy: -732.718 Base-Backbone interact. energy: -1.433 local terms energy: -700.688671 where: bonds (distance) C4'-P energy: -107.083 bonds (distance) P-C4' energy: -129.231 flat angles C4'-P-C4' energy: -147.904 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -220.363 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: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2500.733435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.733435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.733435 (E_RNA) where: Base-Base interactions energy: -1828.838 where: short stacking energy: -725.388 Base-Backbone interact. energy: -0.398 local terms energy: -671.497445 where: bonds (distance) C4'-P energy: -102.913 bonds (distance) P-C4' energy: -124.963 flat angles C4'-P-C4' energy: -146.278 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -197.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2448.358570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.358570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.358570 (E_RNA) where: Base-Base interactions energy: -1759.672 where: short stacking energy: -691.317 Base-Backbone interact. energy: -1.845 local terms energy: -686.842184 where: bonds (distance) C4'-P energy: -116.454 bonds (distance) P-C4' energy: -109.216 flat angles C4'-P-C4' energy: -143.814 flat angles P-C4'-P energy: -115.027 tors. eta vs tors. theta energy: -202.331 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: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2300.180460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.180460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.180460 (E_RNA) where: Base-Base interactions energy: -1678.118 where: short stacking energy: -639.613 Base-Backbone interact. energy: -0.616 local terms energy: -621.446175 where: bonds (distance) C4'-P energy: -106.967 bonds (distance) P-C4' energy: -114.039 flat angles C4'-P-C4' energy: -138.986 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -174.363 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: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2278.436290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.436290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.436290 (E_RNA) where: Base-Base interactions energy: -1654.726 where: short stacking energy: -628.823 Base-Backbone interact. energy: -1.868 local terms energy: -621.842507 where: bonds (distance) C4'-P energy: -116.793 bonds (distance) P-C4' energy: -101.840 flat angles C4'-P-C4' energy: -127.797 flat angles P-C4'-P energy: -82.890 tors. eta vs tors. theta energy: -192.523 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: 161 Temperature: 1.200000 Total energy: -2127.861103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.861103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.861103 (E_RNA) where: Base-Base interactions energy: -1551.340 where: short stacking energy: -620.144 Base-Backbone interact. energy: 2.797 local terms energy: -579.318076 where: bonds (distance) C4'-P energy: -103.025 bonds (distance) P-C4' energy: -101.048 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -85.997 tors. eta vs tors. theta energy: -166.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2142.066106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.066106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.066106 (E_RNA) where: Base-Base interactions energy: -1573.875 where: short stacking energy: -611.533 Base-Backbone interact. energy: -0.367 local terms energy: -567.823893 where: bonds (distance) C4'-P energy: -84.481 bonds (distance) P-C4' energy: -102.990 flat angles C4'-P-C4' energy: -124.962 flat angles P-C4'-P energy: -83.485 tors. eta vs tors. theta energy: -171.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -2080.589979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.589979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.589979 (E_RNA) where: Base-Base interactions energy: -1493.439 where: short stacking energy: -593.915 Base-Backbone interact. energy: 1.142 local terms energy: -588.292901 where: bonds (distance) C4'-P energy: -97.541 bonds (distance) P-C4' energy: -103.437 flat angles C4'-P-C4' energy: -121.026 flat angles P-C4'-P energy: -87.046 tors. eta vs tors. theta energy: -179.243 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: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1809.218141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.218141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.218141 (E_RNA) where: Base-Base interactions energy: -1303.004 where: short stacking energy: -510.425 Base-Backbone interact. energy: 1.597 local terms energy: -507.811636 where: bonds (distance) C4'-P energy: -98.930 bonds (distance) P-C4' energy: -96.155 flat angles C4'-P-C4' energy: -94.390 flat angles P-C4'-P energy: -87.629 tors. eta vs tors. theta energy: -130.708 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: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2632.807910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.807910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.807910 (E_RNA) where: Base-Base interactions energy: -1932.012 where: short stacking energy: -736.879 Base-Backbone interact. energy: -1.596 local terms energy: -699.200253 where: bonds (distance) C4'-P energy: -113.952 bonds (distance) P-C4' energy: -126.454 flat angles C4'-P-C4' energy: -149.544 flat angles P-C4'-P energy: -100.508 tors. eta vs tors. theta energy: -208.742 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: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2584.554368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.554368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.554368 (E_RNA) where: Base-Base interactions energy: -1875.336 where: short stacking energy: -710.288 Base-Backbone interact. energy: -0.846 local terms energy: -708.372451 where: bonds (distance) C4'-P energy: -114.448 bonds (distance) P-C4' energy: -129.062 flat angles C4'-P-C4' energy: -148.915 flat angles P-C4'-P energy: -102.255 tors. eta vs tors. theta energy: -213.693 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: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2481.262971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.262971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.262971 (E_RNA) where: Base-Base interactions energy: -1783.129 where: short stacking energy: -718.257 Base-Backbone interact. energy: -0.775 local terms energy: -697.358776 where: bonds (distance) C4'-P energy: -115.927 bonds (distance) P-C4' energy: -116.330 flat angles C4'-P-C4' energy: -154.793 flat angles P-C4'-P energy: -94.437 tors. eta vs tors. theta energy: -215.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2439.257920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.257920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.257920 (E_RNA) where: Base-Base interactions energy: -1757.360 where: short stacking energy: -722.325 Base-Backbone interact. energy: -1.168 local terms energy: -680.730313 where: bonds (distance) C4'-P energy: -106.076 bonds (distance) P-C4' energy: -130.738 flat angles C4'-P-C4' energy: -143.380 flat angles P-C4'-P energy: -92.967 tors. eta vs tors. theta energy: -207.568 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: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2306.590904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.590904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.590904 (E_RNA) where: Base-Base interactions energy: -1703.182 where: short stacking energy: -645.992 Base-Backbone interact. energy: -0.294 local terms energy: -603.114615 where: bonds (distance) C4'-P energy: -81.767 bonds (distance) P-C4' energy: -120.101 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -181.408 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2314.669292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.669292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.669292 (E_RNA) where: Base-Base interactions energy: -1663.152 where: short stacking energy: -655.146 Base-Backbone interact. energy: -1.852 local terms energy: -649.664897 where: bonds (distance) C4'-P energy: -119.224 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -141.254 flat angles P-C4'-P energy: -92.277 tors. eta vs tors. theta energy: -190.665 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2121.001089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.001089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.001089 (E_RNA) where: Base-Base interactions energy: -1526.431 where: short stacking energy: -577.630 Base-Backbone interact. energy: 0.453 local terms energy: -595.022465 where: bonds (distance) C4'-P energy: -102.384 bonds (distance) P-C4' energy: -97.096 flat angles C4'-P-C4' energy: -131.822 flat angles P-C4'-P energy: -88.244 tors. eta vs tors. theta energy: -175.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -2129.113692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.113692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.113692 (E_RNA) where: Base-Base interactions energy: -1538.598 where: short stacking energy: -613.386 Base-Backbone interact. energy: -0.231 local terms energy: -590.284972 where: bonds (distance) C4'-P energy: -93.506 bonds (distance) P-C4' energy: -103.343 flat angles C4'-P-C4' energy: -131.436 flat angles P-C4'-P energy: -88.441 tors. eta vs tors. theta energy: -173.559 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: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -2023.268615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.268615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.268615 (E_RNA) where: Base-Base interactions energy: -1464.479 where: short stacking energy: -573.234 Base-Backbone interact. energy: -1.528 local terms energy: -557.261559 where: bonds (distance) C4'-P energy: -105.313 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -122.266 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: -162.518 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1850.131800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.131800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.131800 (E_RNA) where: Base-Base interactions energy: -1332.774 where: short stacking energy: -511.420 Base-Backbone interact. energy: -0.325 local terms energy: -517.033571 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -86.440 flat angles C4'-P-C4' energy: -126.522 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -140.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2621.213159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.213159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.213159 (E_RNA) where: Base-Base interactions energy: -1919.690 where: short stacking energy: -737.690 Base-Backbone interact. energy: 0.910 local terms energy: -702.432815 where: bonds (distance) C4'-P energy: -128.395 bonds (distance) P-C4' energy: -121.096 flat angles C4'-P-C4' energy: -155.673 flat angles P-C4'-P energy: -90.513 tors. eta vs tors. theta energy: -206.756 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: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2549.374122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.374122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.374122 (E_RNA) where: Base-Base interactions energy: -1858.392 where: short stacking energy: -712.038 Base-Backbone interact. energy: 5.552 local terms energy: -696.534141 where: bonds (distance) C4'-P energy: -127.650 bonds (distance) P-C4' energy: -114.899 flat angles C4'-P-C4' energy: -150.347 flat angles P-C4'-P energy: -97.657 tors. eta vs tors. theta energy: -205.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2482.735932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.735932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.735932 (E_RNA) where: Base-Base interactions energy: -1795.429 where: short stacking energy: -709.944 Base-Backbone interact. energy: -0.432 local terms energy: -686.875088 where: bonds (distance) C4'-P energy: -117.960 bonds (distance) P-C4' energy: -115.292 flat angles C4'-P-C4' energy: -146.892 flat angles P-C4'-P energy: -97.608 tors. eta vs tors. theta energy: -209.123 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: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2406.253021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.253021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.253021 (E_RNA) where: Base-Base interactions energy: -1740.945 where: short stacking energy: -674.873 Base-Backbone interact. energy: 0.172 local terms energy: -665.479783 where: bonds (distance) C4'-P energy: -102.755 bonds (distance) P-C4' energy: -117.066 flat angles C4'-P-C4' energy: -147.962 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -201.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2314.138030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.138030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.138030 (E_RNA) where: Base-Base interactions energy: -1696.262 where: short stacking energy: -658.197 Base-Backbone interact. energy: 0.139 local terms energy: -618.014336 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -101.365 flat angles C4'-P-C4' energy: -143.087 flat angles P-C4'-P energy: -89.344 tors. eta vs tors. theta energy: -181.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2317.579375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.579375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.579375 (E_RNA) where: Base-Base interactions energy: -1700.969 where: short stacking energy: -638.221 Base-Backbone interact. energy: -2.419 local terms energy: -614.191853 where: bonds (distance) C4'-P energy: -106.046 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -127.869 flat angles P-C4'-P energy: -81.376 tors. eta vs tors. theta energy: -186.881 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: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2173.307815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.307815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.307815 (E_RNA) where: Base-Base interactions energy: -1575.355 where: short stacking energy: -599.083 Base-Backbone interact. energy: -2.058 local terms energy: -595.895095 where: bonds (distance) C4'-P energy: -100.378 bonds (distance) P-C4' energy: -114.543 flat angles C4'-P-C4' energy: -130.744 flat angles P-C4'-P energy: -81.515 tors. eta vs tors. theta energy: -168.715 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: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -2165.748313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.748313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.748313 (E_RNA) where: Base-Base interactions energy: -1582.480 where: short stacking energy: -615.906 Base-Backbone interact. energy: -1.779 local terms energy: -581.489720 where: bonds (distance) C4'-P energy: -83.277 bonds (distance) P-C4' energy: -111.381 flat angles C4'-P-C4' energy: -128.422 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: -173.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -2052.683240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.683240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.683240 (E_RNA) where: Base-Base interactions energy: -1499.154 where: short stacking energy: -586.316 Base-Backbone interact. energy: 2.280 local terms energy: -555.809256 where: bonds (distance) C4'-P energy: -91.380 bonds (distance) P-C4' energy: -92.032 flat angles C4'-P-C4' energy: -124.540 flat angles P-C4'-P energy: -82.139 tors. eta vs tors. theta energy: -165.718 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: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1930.987757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.987757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.987757 (E_RNA) where: Base-Base interactions energy: -1438.395 where: short stacking energy: -550.964 Base-Backbone interact. energy: -1.011 local terms energy: -491.582294 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -92.495 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -67.230 tors. eta vs tors. theta energy: -153.329 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: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2614.953935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.953935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.953935 (E_RNA) where: Base-Base interactions energy: -1920.048 where: short stacking energy: -730.828 Base-Backbone interact. energy: -0.610 local terms energy: -694.296322 where: bonds (distance) C4'-P energy: -109.568 bonds (distance) P-C4' energy: -125.672 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -99.405 tors. eta vs tors. theta energy: -208.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2568.368011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.368011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.368011 (E_RNA) where: Base-Base interactions energy: -1872.494 where: short stacking energy: -718.013 Base-Backbone interact. energy: 0.255 local terms energy: -696.129500 where: bonds (distance) C4'-P energy: -114.050 bonds (distance) P-C4' energy: -123.301 flat angles C4'-P-C4' energy: -152.408 flat angles P-C4'-P energy: -97.829 tors. eta vs tors. theta energy: -208.541 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: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2504.978759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.978759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.978759 (E_RNA) where: Base-Base interactions energy: -1812.987 where: short stacking energy: -733.303 Base-Backbone interact. energy: -0.580 local terms energy: -691.411551 where: bonds (distance) C4'-P energy: -102.656 bonds (distance) P-C4' energy: -125.472 flat angles C4'-P-C4' energy: -143.181 flat angles P-C4'-P energy: -105.400 tors. eta vs tors. theta energy: -214.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2414.010007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.010007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.010007 (E_RNA) where: Base-Base interactions energy: -1743.940 where: short stacking energy: -701.593 Base-Backbone interact. energy: 0.346 local terms energy: -670.415872 where: bonds (distance) C4'-P energy: -111.263 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -105.370 tors. eta vs tors. theta energy: -200.500 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2341.041345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.041345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.041345 (E_RNA) where: Base-Base interactions energy: -1717.983 where: short stacking energy: -652.269 Base-Backbone interact. energy: -2.114 local terms energy: -620.944171 where: bonds (distance) C4'-P energy: -102.964 bonds (distance) P-C4' energy: -107.371 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -90.753 tors. eta vs tors. theta energy: -188.233 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: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2277.537724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.537724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.537724 (E_RNA) where: Base-Base interactions energy: -1673.082 where: short stacking energy: -643.933 Base-Backbone interact. energy: -0.011 local terms energy: -604.445351 where: bonds (distance) C4'-P energy: -87.743 bonds (distance) P-C4' energy: -93.910 flat angles C4'-P-C4' energy: -138.316 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -190.974 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: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2179.577334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.577334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.577334 (E_RNA) where: Base-Base interactions energy: -1579.894 where: short stacking energy: -592.860 Base-Backbone interact. energy: 1.116 local terms energy: -600.799394 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -112.142 flat angles C4'-P-C4' energy: -131.888 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -166.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -2197.266404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.266404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.266404 (E_RNA) where: Base-Base interactions energy: -1564.537 where: short stacking energy: -618.364 Base-Backbone interact. energy: -1.385 local terms energy: -631.344973 where: bonds (distance) C4'-P energy: -102.949 bonds (distance) P-C4' energy: -113.321 flat angles C4'-P-C4' energy: -131.505 flat angles P-C4'-P energy: -90.512 tors. eta vs tors. theta energy: -193.057 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: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -2017.258184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.258184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.258184 (E_RNA) where: Base-Base interactions energy: -1460.372 where: short stacking energy: -555.157 Base-Backbone interact. energy: 7.261 local terms energy: -564.146549 where: bonds (distance) C4'-P energy: -101.320 bonds (distance) P-C4' energy: -88.537 flat angles C4'-P-C4' energy: -128.098 flat angles P-C4'-P energy: -85.410 tors. eta vs tors. theta energy: -160.782 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: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1899.547466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.547466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.547466 (E_RNA) where: Base-Base interactions energy: -1368.152 where: short stacking energy: -523.599 Base-Backbone interact. energy: -2.636 local terms energy: -528.758772 where: bonds (distance) C4'-P energy: -81.970 bonds (distance) P-C4' energy: -111.607 flat angles C4'-P-C4' energy: -120.792 flat angles P-C4'-P energy: -67.549 tors. eta vs tors. theta energy: -146.841 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: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2644.172254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.172254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.172254 (E_RNA) where: Base-Base interactions energy: -1916.972 where: short stacking energy: -737.000 Base-Backbone interact. energy: -4.025 local terms energy: -723.175408 where: bonds (distance) C4'-P energy: -119.138 bonds (distance) P-C4' energy: -139.363 flat angles C4'-P-C4' energy: -147.012 flat angles P-C4'-P energy: -105.660 tors. eta vs tors. theta energy: -212.002 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: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2551.282307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.282307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.282307 (E_RNA) where: Base-Base interactions energy: -1858.419 where: short stacking energy: -730.899 Base-Backbone interact. energy: -1.921 local terms energy: -690.942336 where: bonds (distance) C4'-P energy: -107.852 bonds (distance) P-C4' energy: -115.536 flat angles C4'-P-C4' energy: -146.818 flat angles P-C4'-P energy: -107.025 tors. eta vs tors. theta energy: -213.710 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: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2473.499828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.499828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.499828 (E_RNA) where: Base-Base interactions energy: -1792.062 where: short stacking energy: -680.881 Base-Backbone interact. energy: -2.055 local terms energy: -679.383225 where: bonds (distance) C4'-P energy: -129.009 bonds (distance) P-C4' energy: -105.311 flat angles C4'-P-C4' energy: -138.238 flat angles P-C4'-P energy: -99.827 tors. eta vs tors. theta energy: -206.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2434.047415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.047415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.047415 (E_RNA) where: Base-Base interactions energy: -1776.764 where: short stacking energy: -691.701 Base-Backbone interact. energy: 1.864 local terms energy: -659.147692 where: bonds (distance) C4'-P energy: -108.844 bonds (distance) P-C4' energy: -130.343 flat angles C4'-P-C4' energy: -143.921 flat angles P-C4'-P energy: -77.562 tors. eta vs tors. theta energy: -198.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2369.799786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.799786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.799786 (E_RNA) where: Base-Base interactions energy: -1711.856 where: short stacking energy: -678.505 Base-Backbone interact. energy: 0.914 local terms energy: -658.858576 where: bonds (distance) C4'-P energy: -99.531 bonds (distance) P-C4' energy: -122.946 flat angles C4'-P-C4' energy: -145.284 flat angles P-C4'-P energy: -87.205 tors. eta vs tors. theta energy: -203.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2254.283504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.283504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.283504 (E_RNA) where: Base-Base interactions energy: -1621.882 where: short stacking energy: -637.802 Base-Backbone interact. energy: 2.229 local terms energy: -634.630532 where: bonds (distance) C4'-P energy: -102.681 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -137.774 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -181.504 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: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2179.119353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.119353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.119353 (E_RNA) where: Base-Base interactions energy: -1598.750 where: short stacking energy: -613.689 Base-Backbone interact. energy: -1.013 local terms energy: -579.356995 where: bonds (distance) C4'-P energy: -104.496 bonds (distance) P-C4' energy: -104.073 flat angles C4'-P-C4' energy: -136.247 flat angles P-C4'-P energy: -66.505 tors. eta vs tors. theta energy: -168.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -2091.867906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.867906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.867906 (E_RNA) where: Base-Base interactions energy: -1511.685 where: short stacking energy: -583.897 Base-Backbone interact. energy: 0.934 local terms energy: -581.116565 where: bonds (distance) C4'-P energy: -108.217 bonds (distance) P-C4' energy: -102.508 flat angles C4'-P-C4' energy: -120.282 flat angles P-C4'-P energy: -84.016 tors. eta vs tors. theta energy: -166.094 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: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -2077.786388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.786388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.786388 (E_RNA) where: Base-Base interactions energy: -1501.333 where: short stacking energy: -577.711 Base-Backbone interact. energy: -0.861 local terms energy: -575.592154 where: bonds (distance) C4'-P energy: -106.732 bonds (distance) P-C4' energy: -89.804 flat angles C4'-P-C4' energy: -130.043 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -164.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1805.919336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.919336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.919336 (E_RNA) where: Base-Base interactions energy: -1288.216 where: short stacking energy: -505.249 Base-Backbone interact. energy: 0.973 local terms energy: -518.676312 where: bonds (distance) C4'-P energy: -90.504 bonds (distance) P-C4' energy: -104.090 flat angles C4'-P-C4' energy: -117.099 flat angles P-C4'-P energy: -67.080 tors. eta vs tors. theta energy: -139.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2626.479315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.479315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.479315 (E_RNA) where: Base-Base interactions energy: -1933.780 where: short stacking energy: -752.959 Base-Backbone interact. energy: -2.966 local terms energy: -689.733514 where: bonds (distance) C4'-P energy: -118.295 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -142.183 flat angles P-C4'-P energy: -86.064 tors. eta vs tors. theta energy: -220.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2531.816459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.816459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.816459 (E_RNA) where: Base-Base interactions energy: -1834.462 where: short stacking energy: -725.474 Base-Backbone interact. energy: -0.245 local terms energy: -697.108831 where: bonds (distance) C4'-P energy: -121.187 bonds (distance) P-C4' energy: -113.477 flat angles C4'-P-C4' energy: -143.682 flat angles P-C4'-P energy: -104.649 tors. eta vs tors. theta energy: -214.114 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: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2443.134866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.134866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.134866 (E_RNA) where: Base-Base interactions energy: -1751.392 where: short stacking energy: -680.303 Base-Backbone interact. energy: -1.690 local terms energy: -690.053015 where: bonds (distance) C4'-P energy: -126.564 bonds (distance) P-C4' energy: -131.013 flat angles C4'-P-C4' energy: -145.566 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -192.815 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: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2432.915025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.915025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.915025 (E_RNA) where: Base-Base interactions energy: -1760.259 where: short stacking energy: -688.520 Base-Backbone interact. energy: -1.136 local terms energy: -671.520410 where: bonds (distance) C4'-P energy: -119.514 bonds (distance) P-C4' energy: -114.655 flat angles C4'-P-C4' energy: -140.117 flat angles P-C4'-P energy: -95.268 tors. eta vs tors. theta energy: -201.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2364.177509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.177509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.177509 (E_RNA) where: Base-Base interactions energy: -1715.457 where: short stacking energy: -685.896 Base-Backbone interact. energy: -1.279 local terms energy: -647.441247 where: bonds (distance) C4'-P energy: -106.939 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -135.327 flat angles P-C4'-P energy: -99.008 tors. eta vs tors. theta energy: -203.276 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: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2254.406170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.406170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.406170 (E_RNA) where: Base-Base interactions energy: -1632.920 where: short stacking energy: -622.390 Base-Backbone interact. energy: 0.266 local terms energy: -621.751853 where: bonds (distance) C4'-P energy: -96.838 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -87.640 tors. eta vs tors. theta energy: -188.967 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: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2164.870777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.870777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.870777 (E_RNA) where: Base-Base interactions energy: -1567.684 where: short stacking energy: -609.747 Base-Backbone interact. energy: -1.496 local terms energy: -595.690905 where: bonds (distance) C4'-P energy: -121.857 bonds (distance) P-C4' energy: -94.504 flat angles C4'-P-C4' energy: -131.653 flat angles P-C4'-P energy: -75.647 tors. eta vs tors. theta energy: -172.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -2190.960801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.960801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.960801 (E_RNA) where: Base-Base interactions energy: -1601.067 where: short stacking energy: -599.313 Base-Backbone interact. energy: -3.386 local terms energy: -586.506976 where: bonds (distance) C4'-P energy: -102.581 bonds (distance) P-C4' energy: -98.009 flat angles C4'-P-C4' energy: -124.262 flat angles P-C4'-P energy: -80.312 tors. eta vs tors. theta energy: -181.343 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: 166 Temperature: 1.300000 Total energy: -2095.810603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.810603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.810603 (E_RNA) where: Base-Base interactions energy: -1519.368 where: short stacking energy: -580.065 Base-Backbone interact. energy: 0.754 local terms energy: -577.197125 where: bonds (distance) C4'-P energy: -101.363 bonds (distance) P-C4' energy: -108.408 flat angles C4'-P-C4' energy: -121.940 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -166.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1846.685139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.685139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.685139 (E_RNA) where: Base-Base interactions energy: -1320.731 where: short stacking energy: -523.027 Base-Backbone interact. energy: -0.495 local terms energy: -525.458711 where: bonds (distance) C4'-P energy: -95.447 bonds (distance) P-C4' energy: -115.201 flat angles C4'-P-C4' energy: -112.978 flat angles P-C4'-P energy: -65.453 tors. eta vs tors. theta energy: -136.380 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: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2620.028709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.028709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.028709 (E_RNA) where: Base-Base interactions energy: -1908.259 where: short stacking energy: -745.078 Base-Backbone interact. energy: -2.900 local terms energy: -708.870122 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -111.730 flat angles C4'-P-C4' energy: -146.963 flat angles P-C4'-P energy: -109.628 tors. eta vs tors. theta energy: -215.073 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: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2519.265061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.265061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.265061 (E_RNA) where: Base-Base interactions energy: -1801.988 where: short stacking energy: -702.158 Base-Backbone interact. energy: -0.889 local terms energy: -716.388309 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -121.386 flat angles C4'-P-C4' energy: -148.400 flat angles P-C4'-P energy: -110.739 tors. eta vs tors. theta energy: -211.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2432.683561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.683561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.683561 (E_RNA) where: Base-Base interactions energy: -1779.529 where: short stacking energy: -705.190 Base-Backbone interact. energy: 0.011 local terms energy: -653.165916 where: bonds (distance) C4'-P energy: -107.291 bonds (distance) P-C4' energy: -109.463 flat angles C4'-P-C4' energy: -151.397 flat angles P-C4'-P energy: -89.376 tors. eta vs tors. theta energy: -195.638 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: 167 Temperature: 1.050000 Total energy: -2407.354366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.354366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.354366 (E_RNA) where: Base-Base interactions energy: -1724.809 where: short stacking energy: -667.596 Base-Backbone interact. energy: -1.342 local terms energy: -681.203207 where: bonds (distance) C4'-P energy: -117.808 bonds (distance) P-C4' energy: -117.030 flat angles C4'-P-C4' energy: -144.607 flat angles P-C4'-P energy: -100.051 tors. eta vs tors. theta energy: -201.706 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: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2406.125383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.125383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.125383 (E_RNA) where: Base-Base interactions energy: -1768.960 where: short stacking energy: -691.674 Base-Backbone interact. energy: 1.697 local terms energy: -638.861764 where: bonds (distance) C4'-P energy: -106.878 bonds (distance) P-C4' energy: -95.370 flat angles C4'-P-C4' energy: -139.000 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -205.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2272.430082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.430082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.430082 (E_RNA) where: Base-Base interactions energy: -1654.213 where: short stacking energy: -648.460 Base-Backbone interact. energy: 2.198 local terms energy: -620.414923 where: bonds (distance) C4'-P energy: -111.761 bonds (distance) P-C4' energy: -109.380 flat angles C4'-P-C4' energy: -129.848 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -190.357 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: 167 Temperature: 1.200000 Total energy: -2166.112056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.112056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.112056 (E_RNA) where: Base-Base interactions energy: -1564.544 where: short stacking energy: -602.885 Base-Backbone interact. energy: 1.407 local terms energy: -602.974237 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -117.787 flat angles C4'-P-C4' energy: -125.771 flat angles P-C4'-P energy: -87.332 tors. eta vs tors. theta energy: -166.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -2115.857752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.857752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.857752 (E_RNA) where: Base-Base interactions energy: -1569.180 where: short stacking energy: -599.130 Base-Backbone interact. energy: 0.417 local terms energy: -547.094443 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -94.663 flat angles C4'-P-C4' energy: -121.209 flat angles P-C4'-P energy: -73.090 tors. eta vs tors. theta energy: -161.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -2052.000484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.000484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.000484 (E_RNA) where: Base-Base interactions energy: -1497.845 where: short stacking energy: -578.564 Base-Backbone interact. energy: -3.551 local terms energy: -550.603988 where: bonds (distance) C4'-P energy: -98.488 bonds (distance) P-C4' energy: -101.174 flat angles C4'-P-C4' energy: -112.372 flat angles P-C4'-P energy: -77.968 tors. eta vs tors. theta energy: -160.602 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: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1892.975512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.975512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.975512 (E_RNA) where: Base-Base interactions energy: -1346.670 where: short stacking energy: -529.735 Base-Backbone interact. energy: -0.208 local terms energy: -546.097581 where: bonds (distance) C4'-P energy: -95.080 bonds (distance) P-C4' energy: -99.548 flat angles C4'-P-C4' energy: -125.947 flat angles P-C4'-P energy: -78.308 tors. eta vs tors. theta energy: -147.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2651.766245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.766245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.766245 (E_RNA) where: Base-Base interactions energy: -1942.274 where: short stacking energy: -745.861 Base-Backbone interact. energy: 1.582 local terms energy: -711.074299 where: bonds (distance) C4'-P energy: -124.355 bonds (distance) P-C4' energy: -123.948 flat angles C4'-P-C4' energy: -156.857 flat angles P-C4'-P energy: -89.788 tors. eta vs tors. theta energy: -216.126 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: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2559.886568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.886568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.886568 (E_RNA) where: Base-Base interactions energy: -1850.360 where: short stacking energy: -729.815 Base-Backbone interact. energy: -3.024 local terms energy: -706.502099 where: bonds (distance) C4'-P energy: -125.450 bonds (distance) P-C4' energy: -121.683 flat angles C4'-P-C4' energy: -145.770 flat angles P-C4'-P energy: -103.575 tors. eta vs tors. theta energy: -210.024 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: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2425.485063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.485063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.485063 (E_RNA) where: Base-Base interactions energy: -1755.777 where: short stacking energy: -675.014 Base-Backbone interact. energy: -0.230 local terms energy: -669.478229 where: bonds (distance) C4'-P energy: -114.107 bonds (distance) P-C4' energy: -125.828 flat angles C4'-P-C4' energy: -139.492 flat angles P-C4'-P energy: -91.097 tors. eta vs tors. theta energy: -198.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2476.946172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.946172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.946172 (E_RNA) where: Base-Base interactions energy: -1775.342 where: short stacking energy: -715.894 Base-Backbone interact. energy: 0.727 local terms energy: -702.330863 where: bonds (distance) C4'-P energy: -124.034 bonds (distance) P-C4' energy: -118.168 flat angles C4'-P-C4' energy: -146.272 flat angles P-C4'-P energy: -98.584 tors. eta vs tors. theta energy: -215.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2407.007535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.007535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.007535 (E_RNA) where: Base-Base interactions energy: -1749.690 where: short stacking energy: -698.005 Base-Backbone interact. energy: -1.962 local terms energy: -655.355938 where: bonds (distance) C4'-P energy: -107.791 bonds (distance) P-C4' energy: -116.159 flat angles C4'-P-C4' energy: -133.252 flat angles P-C4'-P energy: -93.547 tors. eta vs tors. theta energy: -204.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2256.949570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.949570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.949570 (E_RNA) where: Base-Base interactions energy: -1649.256 where: short stacking energy: -633.853 Base-Backbone interact. energy: 0.609 local terms energy: -608.302838 where: bonds (distance) C4'-P energy: -114.323 bonds (distance) P-C4' energy: -90.636 flat angles C4'-P-C4' energy: -133.909 flat angles P-C4'-P energy: -89.184 tors. eta vs tors. theta energy: -180.251 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: 168 Temperature: 1.200000 Total energy: -2139.207092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.207092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.207092 (E_RNA) where: Base-Base interactions energy: -1535.412 where: short stacking energy: -609.142 Base-Backbone interact. energy: -1.554 local terms energy: -602.241219 where: bonds (distance) C4'-P energy: -90.886 bonds (distance) P-C4' energy: -103.940 flat angles C4'-P-C4' energy: -130.718 flat angles P-C4'-P energy: -95.381 tors. eta vs tors. theta energy: -181.315 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -2162.592522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.592522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.592522 (E_RNA) where: Base-Base interactions energy: -1580.850 where: short stacking energy: -623.624 Base-Backbone interact. energy: -0.933 local terms energy: -580.809056 where: bonds (distance) C4'-P energy: -91.684 bonds (distance) P-C4' energy: -90.229 flat angles C4'-P-C4' energy: -130.595 flat angles P-C4'-P energy: -89.147 tors. eta vs tors. theta energy: -179.154 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: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -2057.881228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.881228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.881228 (E_RNA) where: Base-Base interactions energy: -1486.961 where: short stacking energy: -589.177 Base-Backbone interact. energy: -2.699 local terms energy: -568.221227 where: bonds (distance) C4'-P energy: -94.030 bonds (distance) P-C4' energy: -99.845 flat angles C4'-P-C4' energy: -125.766 flat angles P-C4'-P energy: -70.166 tors. eta vs tors. theta energy: -178.414 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: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1890.811481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.811481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.811481 (E_RNA) where: Base-Base interactions energy: -1348.267 where: short stacking energy: -515.274 Base-Backbone interact. energy: -2.388 local terms energy: -540.156651 where: bonds (distance) C4'-P energy: -103.526 bonds (distance) P-C4' energy: -114.470 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -138.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2642.019719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.019719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.019719 (E_RNA) where: Base-Base interactions energy: -1921.344 where: short stacking energy: -733.839 Base-Backbone interact. energy: -0.319 local terms energy: -720.356013 where: bonds (distance) C4'-P energy: -121.907 bonds (distance) P-C4' energy: -131.621 flat angles C4'-P-C4' energy: -148.557 flat angles P-C4'-P energy: -105.504 tors. eta vs tors. theta energy: -212.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2556.738174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.738174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.738174 (E_RNA) where: Base-Base interactions energy: -1844.529 where: short stacking energy: -727.508 Base-Backbone interact. energy: -0.984 local terms energy: -711.224461 where: bonds (distance) C4'-P energy: -122.645 bonds (distance) P-C4' energy: -111.402 flat angles C4'-P-C4' energy: -147.410 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -213.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2471.840911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.840911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.840911 (E_RNA) where: Base-Base interactions energy: -1796.391 where: short stacking energy: -686.781 Base-Backbone interact. energy: 0.419 local terms energy: -675.869753 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -107.274 flat angles C4'-P-C4' energy: -154.987 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -197.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2450.013045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.013045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.013045 (E_RNA) where: Base-Base interactions energy: -1786.627 where: short stacking energy: -697.176 Base-Backbone interact. energy: -0.371 local terms energy: -663.015258 where: bonds (distance) C4'-P energy: -120.516 bonds (distance) P-C4' energy: -110.119 flat angles C4'-P-C4' energy: -133.382 flat angles P-C4'-P energy: -101.319 tors. eta vs tors. theta energy: -197.680 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: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2380.973428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.973428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.973428 (E_RNA) where: Base-Base interactions energy: -1732.704 where: short stacking energy: -686.376 Base-Backbone interact. energy: -1.738 local terms energy: -646.530727 where: bonds (distance) C4'-P energy: -105.210 bonds (distance) P-C4' energy: -110.743 flat angles C4'-P-C4' energy: -139.202 flat angles P-C4'-P energy: -91.304 tors. eta vs tors. theta energy: -200.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2188.811801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.811801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.811801 (E_RNA) where: Base-Base interactions energy: -1597.789 where: short stacking energy: -621.599 Base-Backbone interact. energy: 0.196 local terms energy: -591.218510 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -107.030 flat angles C4'-P-C4' energy: -123.076 flat angles P-C4'-P energy: -81.214 tors. eta vs tors. theta energy: -170.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2239.184801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.184801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.184801 (E_RNA) where: Base-Base interactions energy: -1617.632 where: short stacking energy: -622.167 Base-Backbone interact. energy: -2.964 local terms energy: -618.589597 where: bonds (distance) C4'-P energy: -98.145 bonds (distance) P-C4' energy: -114.229 flat angles C4'-P-C4' energy: -131.983 flat angles P-C4'-P energy: -87.717 tors. eta vs tors. theta energy: -186.516 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: 169 Temperature: 1.250000 Total energy: -2153.701553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.701553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.701553 (E_RNA) where: Base-Base interactions energy: -1550.789 where: short stacking energy: -610.591 Base-Backbone interact. energy: -0.576 local terms energy: -602.336317 where: bonds (distance) C4'-P energy: -99.548 bonds (distance) P-C4' energy: -95.711 flat angles C4'-P-C4' energy: -132.018 flat angles P-C4'-P energy: -89.241 tors. eta vs tors. theta energy: -185.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -2075.412135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.412135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.412135 (E_RNA) where: Base-Base interactions energy: -1503.354 where: short stacking energy: -596.373 Base-Backbone interact. energy: 3.011 local terms energy: -575.068870 where: bonds (distance) C4'-P energy: -89.272 bonds (distance) P-C4' energy: -59.018 flat angles C4'-P-C4' energy: -138.560 flat angles P-C4'-P energy: -105.316 tors. eta vs tors. theta energy: -182.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1918.377932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.377932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.377932 (E_RNA) where: Base-Base interactions energy: -1384.406 where: short stacking energy: -535.852 Base-Backbone interact. energy: -3.163 local terms energy: -530.809060 where: bonds (distance) C4'-P energy: -111.111 bonds (distance) P-C4' energy: -73.860 flat angles C4'-P-C4' energy: -118.237 flat angles P-C4'-P energy: -75.379 tors. eta vs tors. theta energy: -152.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2632.905211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.905211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.905211 (E_RNA) where: Base-Base interactions energy: -1920.227 where: short stacking energy: -745.654 Base-Backbone interact. energy: 0.038 local terms energy: -712.715596 where: bonds (distance) C4'-P energy: -127.319 bonds (distance) P-C4' energy: -133.207 flat angles C4'-P-C4' energy: -138.231 flat angles P-C4'-P energy: -96.699 tors. eta vs tors. theta energy: -217.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2537.634178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.634178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.634178 (E_RNA) where: Base-Base interactions energy: -1828.991 where: short stacking energy: -713.937 Base-Backbone interact. energy: -1.751 local terms energy: -706.892567 where: bonds (distance) C4'-P energy: -123.465 bonds (distance) P-C4' energy: -114.675 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -216.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2504.850062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.850062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.850062 (E_RNA) where: Base-Base interactions energy: -1827.158 where: short stacking energy: -719.531 Base-Backbone interact. energy: -0.044 local terms energy: -677.648245 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -127.087 flat angles C4'-P-C4' energy: -141.949 flat angles P-C4'-P energy: -88.829 tors. eta vs tors. theta energy: -204.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2400.264771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.264771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.264771 (E_RNA) where: Base-Base interactions energy: -1741.622 where: short stacking energy: -664.779 Base-Backbone interact. energy: -2.706 local terms energy: -655.936915 where: bonds (distance) C4'-P energy: -100.233 bonds (distance) P-C4' energy: -128.995 flat angles C4'-P-C4' energy: -142.991 flat angles P-C4'-P energy: -93.650 tors. eta vs tors. theta energy: -190.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2396.533847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.533847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.533847 (E_RNA) where: Base-Base interactions energy: -1729.690 where: short stacking energy: -669.272 Base-Backbone interact. energy: 2.044 local terms energy: -668.887781 where: bonds (distance) C4'-P energy: -110.001 bonds (distance) P-C4' energy: -126.643 flat angles C4'-P-C4' energy: -130.874 flat angles P-C4'-P energy: -95.609 tors. eta vs tors. theta energy: -205.761 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: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2212.497985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.497985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.497985 (E_RNA) where: Base-Base interactions energy: -1588.316 where: short stacking energy: -620.562 Base-Backbone interact. energy: -1.362 local terms energy: -622.819789 where: bonds (distance) C4'-P energy: -109.794 bonds (distance) P-C4' energy: -115.152 flat angles C4'-P-C4' energy: -120.864 flat angles P-C4'-P energy: -95.184 tors. eta vs tors. theta energy: -181.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2198.475310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.475310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.475310 (E_RNA) where: Base-Base interactions energy: -1593.477 where: short stacking energy: -622.058 Base-Backbone interact. energy: 3.871 local terms energy: -608.869050 where: bonds (distance) C4'-P energy: -104.333 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -132.386 flat angles P-C4'-P energy: -87.634 tors. eta vs tors. theta energy: -173.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -2188.200471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.200471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.200471 (E_RNA) where: Base-Base interactions energy: -1587.561 where: short stacking energy: -632.509 Base-Backbone interact. energy: -0.050 local terms energy: -600.589688 where: bonds (distance) C4'-P energy: -98.874 bonds (distance) P-C4' energy: -97.306 flat angles C4'-P-C4' energy: -126.635 flat angles P-C4'-P energy: -93.236 tors. eta vs tors. theta energy: -184.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -2044.614357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.614357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.614357 (E_RNA) where: Base-Base interactions energy: -1486.495 where: short stacking energy: -577.260 Base-Backbone interact. energy: -0.858 local terms energy: -557.261297 where: bonds (distance) C4'-P energy: -91.073 bonds (distance) P-C4' energy: -97.837 flat angles C4'-P-C4' energy: -124.628 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -166.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1836.014537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.014537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.014537 (E_RNA) where: Base-Base interactions energy: -1333.727 where: short stacking energy: -508.148 Base-Backbone interact. energy: -0.309 local terms energy: -501.978428 where: bonds (distance) C4'-P energy: -88.705 bonds (distance) P-C4' energy: -90.911 flat angles C4'-P-C4' energy: -119.646 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -139.628 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: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2669.253835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.253835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.253835 (E_RNA) where: Base-Base interactions energy: -1956.551 where: short stacking energy: -742.971 Base-Backbone interact. energy: -0.068 local terms energy: -712.634608 where: bonds (distance) C4'-P energy: -131.832 bonds (distance) P-C4' energy: -126.946 flat angles C4'-P-C4' energy: -148.912 flat angles P-C4'-P energy: -95.370 tors. eta vs tors. theta energy: -209.575 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: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2553.699382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.699382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.699382 (E_RNA) where: Base-Base interactions energy: -1844.920 where: short stacking energy: -738.806 Base-Backbone interact. energy: 1.246 local terms energy: -710.024785 where: bonds (distance) C4'-P energy: -119.080 bonds (distance) P-C4' energy: -114.047 flat angles C4'-P-C4' energy: -148.429 flat angles P-C4'-P energy: -109.504 tors. eta vs tors. theta energy: -218.964 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: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2520.706715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.706715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.706715 (E_RNA) where: Base-Base interactions energy: -1836.074 where: short stacking energy: -707.254 Base-Backbone interact. energy: -0.667 local terms energy: -683.965760 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -112.000 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -107.124 tors. eta vs tors. theta energy: -205.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2394.532695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.532695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.532695 (E_RNA) where: Base-Base interactions energy: -1728.715 where: short stacking energy: -666.682 Base-Backbone interact. energy: -3.531 local terms energy: -662.286595 where: bonds (distance) C4'-P energy: -123.148 bonds (distance) P-C4' energy: -129.431 flat angles C4'-P-C4' energy: -132.511 flat angles P-C4'-P energy: -84.905 tors. eta vs tors. theta energy: -192.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2377.768109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.768109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.768109 (E_RNA) where: Base-Base interactions energy: -1712.754 where: short stacking energy: -670.327 Base-Backbone interact. energy: -0.092 local terms energy: -664.922514 where: bonds (distance) C4'-P energy: -116.343 bonds (distance) P-C4' energy: -115.321 flat angles C4'-P-C4' energy: -138.298 flat angles P-C4'-P energy: -94.072 tors. eta vs tors. theta energy: -200.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2207.061521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.061521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.061521 (E_RNA) where: Base-Base interactions energy: -1567.245 where: short stacking energy: -625.526 Base-Backbone interact. energy: -2.627 local terms energy: -637.189072 where: bonds (distance) C4'-P energy: -102.217 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -137.493 flat angles P-C4'-P energy: -90.470 tors. eta vs tors. theta energy: -189.470 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: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2190.147580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.147580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.147580 (E_RNA) where: Base-Base interactions energy: -1596.190 where: short stacking energy: -617.925 Base-Backbone interact. energy: -4.041 local terms energy: -589.916490 where: bonds (distance) C4'-P energy: -76.243 bonds (distance) P-C4' energy: -94.767 flat angles C4'-P-C4' energy: -139.145 flat angles P-C4'-P energy: -98.187 tors. eta vs tors. theta energy: -181.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -2208.583337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.583337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.583337 (E_RNA) where: Base-Base interactions energy: -1609.819 where: short stacking energy: -636.633 Base-Backbone interact. energy: -1.112 local terms energy: -597.652445 where: bonds (distance) C4'-P energy: -96.823 bonds (distance) P-C4' energy: -109.300 flat angles C4'-P-C4' energy: -124.535 flat angles P-C4'-P energy: -79.596 tors. eta vs tors. theta energy: -187.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -2066.869200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.869200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.869200 (E_RNA) where: Base-Base interactions energy: -1516.135 where: short stacking energy: -585.791 Base-Backbone interact. energy: 0.322 local terms energy: -551.055478 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -117.015 flat angles C4'-P-C4' energy: -112.990 flat angles P-C4'-P energy: -63.459 tors. eta vs tors. theta energy: -159.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1875.027307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.027307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.027307 (E_RNA) where: Base-Base interactions energy: -1352.326 where: short stacking energy: -530.712 Base-Backbone interact. energy: 3.460 local terms energy: -526.160641 where: bonds (distance) C4'-P energy: -104.174 bonds (distance) P-C4' energy: -92.549 flat angles C4'-P-C4' energy: -120.895 flat angles P-C4'-P energy: -68.236 tors. eta vs tors. theta energy: -140.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2645.627481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.627481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.627481 (E_RNA) where: Base-Base interactions energy: -1949.684 where: short stacking energy: -739.898 Base-Backbone interact. energy: -0.805 local terms energy: -695.138182 where: bonds (distance) C4'-P energy: -106.535 bonds (distance) P-C4' energy: -127.029 flat angles C4'-P-C4' energy: -151.099 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -206.701 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: 172 Temperature: 0.950000 Total energy: -2554.588613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.588613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.588613 (E_RNA) where: Base-Base interactions energy: -1860.931 where: short stacking energy: -736.105 Base-Backbone interact. energy: -0.991 local terms energy: -692.666637 where: bonds (distance) C4'-P energy: -112.143 bonds (distance) P-C4' energy: -129.078 flat angles C4'-P-C4' energy: -142.919 flat angles P-C4'-P energy: -95.610 tors. eta vs tors. theta energy: -212.916 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: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2438.158905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.158905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.158905 (E_RNA) where: Base-Base interactions energy: -1782.691 where: short stacking energy: -700.467 Base-Backbone interact. energy: -1.634 local terms energy: -653.833805 where: bonds (distance) C4'-P energy: -112.687 bonds (distance) P-C4' energy: -113.716 flat angles C4'-P-C4' energy: -133.013 flat angles P-C4'-P energy: -96.733 tors. eta vs tors. theta energy: -197.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2477.623824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.623824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.623824 (E_RNA) where: Base-Base interactions energy: -1802.175 where: short stacking energy: -715.160 Base-Backbone interact. energy: -0.573 local terms energy: -674.876413 where: bonds (distance) C4'-P energy: -110.445 bonds (distance) P-C4' energy: -102.797 flat angles C4'-P-C4' energy: -153.519 flat angles P-C4'-P energy: -93.869 tors. eta vs tors. theta energy: -214.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2432.085930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.085930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.085930 (E_RNA) where: Base-Base interactions energy: -1773.187 where: short stacking energy: -692.705 Base-Backbone interact. energy: -2.689 local terms energy: -656.209626 where: bonds (distance) C4'-P energy: -99.256 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -134.670 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -206.375 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: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2242.766599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.766599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.766599 (E_RNA) where: Base-Base interactions energy: -1621.037 where: short stacking energy: -639.805 Base-Backbone interact. energy: -1.016 local terms energy: -620.714146 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -104.318 flat angles C4'-P-C4' energy: -130.952 flat angles P-C4'-P energy: -94.097 tors. eta vs tors. theta energy: -178.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2262.062049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.062049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.062049 (E_RNA) where: Base-Base interactions energy: -1650.480 where: short stacking energy: -640.385 Base-Backbone interact. energy: -1.466 local terms energy: -610.116252 where: bonds (distance) C4'-P energy: -97.011 bonds (distance) P-C4' energy: -100.670 flat angles C4'-P-C4' energy: -133.948 flat angles P-C4'-P energy: -88.694 tors. eta vs tors. theta energy: -189.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -2154.377380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.377380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.377380 (E_RNA) where: Base-Base interactions energy: -1583.488 where: short stacking energy: -594.068 Base-Backbone interact. energy: -0.358 local terms energy: -570.531654 where: bonds (distance) C4'-P energy: -94.518 bonds (distance) P-C4' energy: -101.354 flat angles C4'-P-C4' energy: -118.562 flat angles P-C4'-P energy: -82.140 tors. eta vs tors. theta energy: -173.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -2086.045218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.045218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.045218 (E_RNA) where: Base-Base interactions energy: -1520.481 where: short stacking energy: -572.762 Base-Backbone interact. energy: 4.855 local terms energy: -570.419834 where: bonds (distance) C4'-P energy: -99.970 bonds (distance) P-C4' energy: -105.659 flat angles C4'-P-C4' energy: -120.971 flat angles P-C4'-P energy: -76.559 tors. eta vs tors. theta energy: -167.261 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1816.547226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.547226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.547226 (E_RNA) where: Base-Base interactions energy: -1293.775 where: short stacking energy: -515.197 Base-Backbone interact. energy: 0.755 local terms energy: -523.526636 where: bonds (distance) C4'-P energy: -106.124 bonds (distance) P-C4' energy: -104.117 flat angles C4'-P-C4' energy: -118.672 flat angles P-C4'-P energy: -57.271 tors. eta vs tors. theta energy: -137.341 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: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2630.439524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.439524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.439524 (E_RNA) where: Base-Base interactions energy: -1913.681 where: short stacking energy: -742.568 Base-Backbone interact. energy: -3.214 local terms energy: -713.544927 where: bonds (distance) C4'-P energy: -121.300 bonds (distance) P-C4' energy: -130.278 flat angles C4'-P-C4' energy: -151.924 flat angles P-C4'-P energy: -101.843 tors. eta vs tors. theta energy: -208.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2549.576757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.576757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.576757 (E_RNA) where: Base-Base interactions energy: -1829.608 where: short stacking energy: -731.769 Base-Backbone interact. energy: -0.211 local terms energy: -719.757957 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -130.924 flat angles C4'-P-C4' energy: -154.096 flat angles P-C4'-P energy: -89.352 tors. eta vs tors. theta energy: -219.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2430.442388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.442388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.442388 (E_RNA) where: Base-Base interactions energy: -1771.281 where: short stacking energy: -682.062 Base-Backbone interact. energy: -1.221 local terms energy: -657.939887 where: bonds (distance) C4'-P energy: -103.724 bonds (distance) P-C4' energy: -124.591 flat angles C4'-P-C4' energy: -142.082 flat angles P-C4'-P energy: -99.387 tors. eta vs tors. theta energy: -188.156 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: 173 Temperature: 1.050000 Total energy: -2433.722385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.722385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.722385 (E_RNA) where: Base-Base interactions energy: -1767.982 where: short stacking energy: -680.618 Base-Backbone interact. energy: -1.430 local terms energy: -664.310087 where: bonds (distance) C4'-P energy: -101.535 bonds (distance) P-C4' energy: -121.263 flat angles C4'-P-C4' energy: -139.363 flat angles P-C4'-P energy: -93.544 tors. eta vs tors. theta energy: -208.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2419.753837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.753837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.753837 (E_RNA) where: Base-Base interactions energy: -1740.168 where: short stacking energy: -686.669 Base-Backbone interact. energy: 0.925 local terms energy: -680.511530 where: bonds (distance) C4'-P energy: -106.946 bonds (distance) P-C4' energy: -115.312 flat angles C4'-P-C4' energy: -143.162 flat angles P-C4'-P energy: -105.757 tors. eta vs tors. theta energy: -209.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2276.006997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.006997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.006997 (E_RNA) where: Base-Base interactions energy: -1680.103 where: short stacking energy: -659.527 Base-Backbone interact. energy: -0.546 local terms energy: -595.358845 where: bonds (distance) C4'-P energy: -102.206 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -73.907 tors. eta vs tors. theta energy: -191.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2185.018730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.018730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.018730 (E_RNA) where: Base-Base interactions energy: -1584.915 where: short stacking energy: -620.980 Base-Backbone interact. energy: -1.718 local terms energy: -598.386397 where: bonds (distance) C4'-P energy: -84.357 bonds (distance) P-C4' energy: -110.831 flat angles C4'-P-C4' energy: -140.567 flat angles P-C4'-P energy: -85.362 tors. eta vs tors. theta energy: -177.270 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: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -2173.020249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.020249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.020249 (E_RNA) where: Base-Base interactions energy: -1582.250 where: short stacking energy: -611.228 Base-Backbone interact. energy: 1.320 local terms energy: -592.090157 where: bonds (distance) C4'-P energy: -97.045 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -126.859 flat angles P-C4'-P energy: -85.888 tors. eta vs tors. theta energy: -179.461 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: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -2071.542528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.542528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.542528 (E_RNA) where: Base-Base interactions energy: -1519.074 where: short stacking energy: -590.045 Base-Backbone interact. energy: 0.580 local terms energy: -553.048126 where: bonds (distance) C4'-P energy: -96.016 bonds (distance) P-C4' energy: -93.346 flat angles C4'-P-C4' energy: -121.407 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -171.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1827.540534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.540534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.540534 (E_RNA) where: Base-Base interactions energy: -1316.399 where: short stacking energy: -515.840 Base-Backbone interact. energy: -0.702 local terms energy: -510.439798 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -85.142 flat angles C4'-P-C4' energy: -116.874 flat angles P-C4'-P energy: -76.588 tors. eta vs tors. theta energy: -142.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2638.453933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.453933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.453933 (E_RNA) where: Base-Base interactions energy: -1932.519 where: short stacking energy: -734.234 Base-Backbone interact. energy: -3.001 local terms energy: -702.933917 where: bonds (distance) C4'-P energy: -127.681 bonds (distance) P-C4' energy: -115.507 flat angles C4'-P-C4' energy: -151.068 flat angles P-C4'-P energy: -102.329 tors. eta vs tors. theta energy: -206.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2559.492682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.492682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.492682 (E_RNA) where: Base-Base interactions energy: -1853.549 where: short stacking energy: -717.072 Base-Backbone interact. energy: 0.579 local terms energy: -706.522596 where: bonds (distance) C4'-P energy: -115.992 bonds (distance) P-C4' energy: -131.117 flat angles C4'-P-C4' energy: -148.218 flat angles P-C4'-P energy: -103.302 tors. eta vs tors. theta energy: -207.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2483.310972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.310972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.310972 (E_RNA) where: Base-Base interactions energy: -1814.981 where: short stacking energy: -710.842 Base-Backbone interact. energy: -1.797 local terms energy: -666.533469 where: bonds (distance) C4'-P energy: -101.221 bonds (distance) P-C4' energy: -117.227 flat angles C4'-P-C4' energy: -150.888 flat angles P-C4'-P energy: -87.390 tors. eta vs tors. theta energy: -209.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2425.697286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.697286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.697286 (E_RNA) where: Base-Base interactions energy: -1753.683 where: short stacking energy: -674.425 Base-Backbone interact. energy: -0.457 local terms energy: -671.557033 where: bonds (distance) C4'-P energy: -97.081 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -141.185 flat angles P-C4'-P energy: -100.034 tors. eta vs tors. theta energy: -202.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2415.304784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.304784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.304784 (E_RNA) where: Base-Base interactions energy: -1725.474 where: short stacking energy: -675.947 Base-Backbone interact. energy: 1.747 local terms energy: -691.577232 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -123.666 flat angles C4'-P-C4' energy: -143.544 flat angles P-C4'-P energy: -103.877 tors. eta vs tors. theta energy: -202.088 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: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2322.937024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.937024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.937024 (E_RNA) where: Base-Base interactions energy: -1688.241 where: short stacking energy: -650.707 Base-Backbone interact. energy: 1.315 local terms energy: -636.010270 where: bonds (distance) C4'-P energy: -107.675 bonds (distance) P-C4' energy: -104.300 flat angles C4'-P-C4' energy: -138.790 flat angles P-C4'-P energy: -91.606 tors. eta vs tors. theta energy: -193.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2213.545773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.545773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.545773 (E_RNA) where: Base-Base interactions energy: -1602.316 where: short stacking energy: -604.398 Base-Backbone interact. energy: 0.745 local terms energy: -611.974847 where: bonds (distance) C4'-P energy: -102.886 bonds (distance) P-C4' energy: -99.622 flat angles C4'-P-C4' energy: -133.651 flat angles P-C4'-P energy: -93.621 tors. eta vs tors. theta energy: -182.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -2117.519641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.519641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.519641 (E_RNA) where: Base-Base interactions energy: -1526.366 where: short stacking energy: -585.441 Base-Backbone interact. energy: -1.111 local terms energy: -590.042582 where: bonds (distance) C4'-P energy: -100.393 bonds (distance) P-C4' energy: -102.151 flat angles C4'-P-C4' energy: -129.620 flat angles P-C4'-P energy: -89.207 tors. eta vs tors. theta energy: -168.671 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: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -2055.463146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.463146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.463146 (E_RNA) where: Base-Base interactions energy: -1508.628 where: short stacking energy: -566.368 Base-Backbone interact. energy: -2.516 local terms energy: -544.319436 where: bonds (distance) C4'-P energy: -99.241 bonds (distance) P-C4' energy: -100.010 flat angles C4'-P-C4' energy: -110.963 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: -163.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1869.199257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.199257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.199257 (E_RNA) where: Base-Base interactions energy: -1332.555 where: short stacking energy: -536.224 Base-Backbone interact. energy: -0.093 local terms energy: -536.551775 where: bonds (distance) C4'-P energy: -88.203 bonds (distance) P-C4' energy: -81.133 flat angles C4'-P-C4' energy: -126.851 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -156.076 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: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2621.778591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.778591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.778591 (E_RNA) where: Base-Base interactions energy: -1915.779 where: short stacking energy: -741.663 Base-Backbone interact. energy: -1.735 local terms energy: -704.265042 where: bonds (distance) C4'-P energy: -127.152 bonds (distance) P-C4' energy: -125.145 flat angles C4'-P-C4' energy: -145.068 flat angles P-C4'-P energy: -90.596 tors. eta vs tors. theta energy: -216.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2548.087248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.087248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.087248 (E_RNA) where: Base-Base interactions energy: -1839.593 where: short stacking energy: -721.286 Base-Backbone interact. energy: 0.267 local terms energy: -708.761189 where: bonds (distance) C4'-P energy: -115.744 bonds (distance) P-C4' energy: -131.885 flat angles C4'-P-C4' energy: -148.222 flat angles P-C4'-P energy: -103.504 tors. eta vs tors. theta energy: -209.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2475.962510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.962510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.962510 (E_RNA) where: Base-Base interactions energy: -1813.872 where: short stacking energy: -715.792 Base-Backbone interact. energy: -2.067 local terms energy: -660.022952 where: bonds (distance) C4'-P energy: -107.743 bonds (distance) P-C4' energy: -105.788 flat angles C4'-P-C4' energy: -146.266 flat angles P-C4'-P energy: -86.959 tors. eta vs tors. theta energy: -213.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2459.574430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.574430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.574430 (E_RNA) where: Base-Base interactions energy: -1783.607 where: short stacking energy: -703.235 Base-Backbone interact. energy: 0.532 local terms energy: -676.499411 where: bonds (distance) C4'-P energy: -104.563 bonds (distance) P-C4' energy: -115.827 flat angles C4'-P-C4' energy: -151.023 flat angles P-C4'-P energy: -98.082 tors. eta vs tors. theta energy: -207.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2317.419724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.419724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.419724 (E_RNA) where: Base-Base interactions energy: -1688.924 where: short stacking energy: -653.861 Base-Backbone interact. energy: -3.585 local terms energy: -624.911191 where: bonds (distance) C4'-P energy: -103.511 bonds (distance) P-C4' energy: -114.192 flat angles C4'-P-C4' energy: -138.954 flat angles P-C4'-P energy: -76.251 tors. eta vs tors. theta energy: -192.004 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: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2276.400148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.400148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.400148 (E_RNA) where: Base-Base interactions energy: -1654.875 where: short stacking energy: -631.972 Base-Backbone interact. energy: -0.361 local terms energy: -621.163834 where: bonds (distance) C4'-P energy: -120.024 bonds (distance) P-C4' energy: -96.714 flat angles C4'-P-C4' energy: -137.032 flat angles P-C4'-P energy: -76.500 tors. eta vs tors. theta energy: -190.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2188.337021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.337021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.337021 (E_RNA) where: Base-Base interactions energy: -1582.480 where: short stacking energy: -609.680 Base-Backbone interact. energy: 1.232 local terms energy: -607.089292 where: bonds (distance) C4'-P energy: -95.265 bonds (distance) P-C4' energy: -121.394 flat angles C4'-P-C4' energy: -129.784 flat angles P-C4'-P energy: -74.004 tors. eta vs tors. theta energy: -186.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -2082.864357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.864357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.864357 (E_RNA) where: Base-Base interactions energy: -1517.579 where: short stacking energy: -600.579 Base-Backbone interact. energy: 1.154 local terms energy: -566.439753 where: bonds (distance) C4'-P energy: -87.159 bonds (distance) P-C4' energy: -117.265 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: -171.517 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: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -2054.049134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.049134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.049134 (E_RNA) where: Base-Base interactions energy: -1492.632 where: short stacking energy: -582.351 Base-Backbone interact. energy: 1.187 local terms energy: -562.603734 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -87.506 flat angles C4'-P-C4' energy: -123.819 flat angles P-C4'-P energy: -77.998 tors. eta vs tors. theta energy: -168.703 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: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1827.169616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.169616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.169616 (E_RNA) where: Base-Base interactions energy: -1301.885 where: short stacking energy: -520.325 Base-Backbone interact. energy: 0.791 local terms energy: -526.075237 where: bonds (distance) C4'-P energy: -92.088 bonds (distance) P-C4' energy: -86.270 flat angles C4'-P-C4' energy: -118.698 flat angles P-C4'-P energy: -83.175 tors. eta vs tors. theta energy: -145.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2623.780081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.780081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.780081 (E_RNA) where: Base-Base interactions energy: -1935.844 where: short stacking energy: -736.664 Base-Backbone interact. energy: 0.278 local terms energy: -688.214437 where: bonds (distance) C4'-P energy: -110.672 bonds (distance) P-C4' energy: -118.999 flat angles C4'-P-C4' energy: -143.894 flat angles P-C4'-P energy: -101.792 tors. eta vs tors. theta energy: -212.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2576.013244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.013244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.013244 (E_RNA) where: Base-Base interactions energy: -1856.205 where: short stacking energy: -737.544 Base-Backbone interact. energy: 3.198 local terms energy: -723.006401 where: bonds (distance) C4'-P energy: -132.391 bonds (distance) P-C4' energy: -114.875 flat angles C4'-P-C4' energy: -158.173 flat angles P-C4'-P energy: -103.690 tors. eta vs tors. theta energy: -213.878 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: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2509.211782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.211782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.211782 (E_RNA) where: Base-Base interactions energy: -1817.169 where: short stacking energy: -710.216 Base-Backbone interact. energy: -1.142 local terms energy: -690.900690 where: bonds (distance) C4'-P energy: -107.933 bonds (distance) P-C4' energy: -125.363 flat angles C4'-P-C4' energy: -148.887 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -211.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2471.948564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.948564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.948564 (E_RNA) where: Base-Base interactions energy: -1785.125 where: short stacking energy: -704.463 Base-Backbone interact. energy: 1.149 local terms energy: -687.971898 where: bonds (distance) C4'-P energy: -104.654 bonds (distance) P-C4' energy: -114.300 flat angles C4'-P-C4' energy: -154.002 flat angles P-C4'-P energy: -108.488 tors. eta vs tors. theta energy: -206.528 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: 176 Temperature: 1.100000 Total energy: -2314.559929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.559929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.559929 (E_RNA) where: Base-Base interactions energy: -1694.001 where: short stacking energy: -659.747 Base-Backbone interact. energy: -2.007 local terms energy: -618.551643 where: bonds (distance) C4'-P energy: -107.323 bonds (distance) P-C4' energy: -120.244 flat angles C4'-P-C4' energy: -136.658 flat angles P-C4'-P energy: -80.519 tors. eta vs tors. theta energy: -173.808 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: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2288.704273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.704273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.704273 (E_RNA) where: Base-Base interactions energy: -1683.005 where: short stacking energy: -653.232 Base-Backbone interact. energy: -0.471 local terms energy: -605.228308 where: bonds (distance) C4'-P energy: -93.868 bonds (distance) P-C4' energy: -95.006 flat angles C4'-P-C4' energy: -133.241 flat angles P-C4'-P energy: -89.599 tors. eta vs tors. theta energy: -193.514 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: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2207.737806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.737806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.737806 (E_RNA) where: Base-Base interactions energy: -1605.243 where: short stacking energy: -627.240 Base-Backbone interact. energy: 3.375 local terms energy: -605.870217 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -99.756 flat angles C4'-P-C4' energy: -130.984 flat angles P-C4'-P energy: -83.531 tors. eta vs tors. theta energy: -171.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -2112.265203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.265203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.265203 (E_RNA) where: Base-Base interactions energy: -1523.176 where: short stacking energy: -592.940 Base-Backbone interact. energy: -0.719 local terms energy: -588.370055 where: bonds (distance) C4'-P energy: -101.399 bonds (distance) P-C4' energy: -103.781 flat angles C4'-P-C4' energy: -125.475 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -176.820 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: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -2006.992815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.992815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.992815 (E_RNA) where: Base-Base interactions energy: -1454.544 where: short stacking energy: -560.770 Base-Backbone interact. energy: 3.049 local terms energy: -555.497812 where: bonds (distance) C4'-P energy: -104.254 bonds (distance) P-C4' energy: -93.123 flat angles C4'-P-C4' energy: -129.729 flat angles P-C4'-P energy: -65.319 tors. eta vs tors. theta energy: -163.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1884.434012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.434012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.434012 (E_RNA) where: Base-Base interactions energy: -1369.568 where: short stacking energy: -505.857 Base-Backbone interact. energy: 0.467 local terms energy: -515.333171 where: bonds (distance) C4'-P energy: -99.885 bonds (distance) P-C4' energy: -104.422 flat angles C4'-P-C4' energy: -104.617 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: -148.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2640.790554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.790554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.790554 (E_RNA) where: Base-Base interactions energy: -1931.041 where: short stacking energy: -733.764 Base-Backbone interact. energy: 0.807 local terms energy: -710.556856 where: bonds (distance) C4'-P energy: -117.811 bonds (distance) P-C4' energy: -130.425 flat angles C4'-P-C4' energy: -145.313 flat angles P-C4'-P energy: -105.832 tors. eta vs tors. theta energy: -211.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2550.935735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.935735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.935735 (E_RNA) where: Base-Base interactions energy: -1849.703 where: short stacking energy: -730.514 Base-Backbone interact. energy: -0.789 local terms energy: -700.443412 where: bonds (distance) C4'-P energy: -113.022 bonds (distance) P-C4' energy: -124.108 flat angles C4'-P-C4' energy: -143.365 flat angles P-C4'-P energy: -106.694 tors. eta vs tors. theta energy: -213.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2482.662344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.662344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.662344 (E_RNA) where: Base-Base interactions energy: -1825.899 where: short stacking energy: -701.466 Base-Backbone interact. energy: -0.292 local terms energy: -656.471394 where: bonds (distance) C4'-P energy: -101.445 bonds (distance) P-C4' energy: -119.554 flat angles C4'-P-C4' energy: -138.455 flat angles P-C4'-P energy: -92.696 tors. eta vs tors. theta energy: -204.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2483.713355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.713355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.713355 (E_RNA) where: Base-Base interactions energy: -1790.842 where: short stacking energy: -696.690 Base-Backbone interact. energy: -0.359 local terms energy: -692.511950 where: bonds (distance) C4'-P energy: -120.622 bonds (distance) P-C4' energy: -110.090 flat angles C4'-P-C4' energy: -144.466 flat angles P-C4'-P energy: -103.906 tors. eta vs tors. theta energy: -213.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2353.867925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.867925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.867925 (E_RNA) where: Base-Base interactions energy: -1730.513 where: short stacking energy: -661.879 Base-Backbone interact. energy: 0.278 local terms energy: -623.633484 where: bonds (distance) C4'-P energy: -103.095 bonds (distance) P-C4' energy: -106.433 flat angles C4'-P-C4' energy: -129.554 flat angles P-C4'-P energy: -97.107 tors. eta vs tors. theta energy: -187.444 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: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2316.033688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.033688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.033688 (E_RNA) where: Base-Base interactions energy: -1702.271 where: short stacking energy: -656.268 Base-Backbone interact. energy: -0.448 local terms energy: -613.314900 where: bonds (distance) C4'-P energy: -96.400 bonds (distance) P-C4' energy: -96.848 flat angles C4'-P-C4' energy: -137.056 flat angles P-C4'-P energy: -90.245 tors. eta vs tors. theta energy: -192.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2173.586170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.586170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.586170 (E_RNA) where: Base-Base interactions energy: -1571.410 where: short stacking energy: -593.890 Base-Backbone interact. energy: -2.133 local terms energy: -600.043026 where: bonds (distance) C4'-P energy: -107.665 bonds (distance) P-C4' energy: -105.052 flat angles C4'-P-C4' energy: -128.621 flat angles P-C4'-P energy: -82.935 tors. eta vs tors. theta energy: -175.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -2120.426730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.426730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.426730 (E_RNA) where: Base-Base interactions energy: -1548.050 where: short stacking energy: -614.523 Base-Backbone interact. energy: -0.709 local terms energy: -571.667612 where: bonds (distance) C4'-P energy: -97.887 bonds (distance) P-C4' energy: -98.973 flat angles C4'-P-C4' energy: -133.170 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -174.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1965.423480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.423480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.423480 (E_RNA) where: Base-Base interactions energy: -1433.008 where: short stacking energy: -565.999 Base-Backbone interact. energy: -0.962 local terms energy: -531.453017 where: bonds (distance) C4'-P energy: -99.883 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -113.282 flat angles P-C4'-P energy: -74.660 tors. eta vs tors. theta energy: -153.369 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: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1892.589815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.589815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.589815 (E_RNA) where: Base-Base interactions energy: -1354.575 where: short stacking energy: -531.996 Base-Backbone interact. energy: -1.787 local terms energy: -536.227711 where: bonds (distance) C4'-P energy: -93.400 bonds (distance) P-C4' energy: -87.626 flat angles C4'-P-C4' energy: -132.963 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -151.437 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: 178 Temperature: 0.900000 Total energy: -2657.160148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.160148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.160148 (E_RNA) where: Base-Base interactions energy: -1927.234 where: short stacking energy: -749.864 Base-Backbone interact. energy: 2.405 local terms energy: -732.330548 where: bonds (distance) C4'-P energy: -117.147 bonds (distance) P-C4' energy: -139.662 flat angles C4'-P-C4' energy: -149.120 flat angles P-C4'-P energy: -110.675 tors. eta vs tors. theta energy: -215.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2542.915399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.915399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.915399 (E_RNA) where: Base-Base interactions energy: -1834.225 where: short stacking energy: -724.023 Base-Backbone interact. energy: 0.997 local terms energy: -709.687839 where: bonds (distance) C4'-P energy: -120.248 bonds (distance) P-C4' energy: -115.599 flat angles C4'-P-C4' energy: -141.192 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -223.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2508.455989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.455989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.455989 (E_RNA) where: Base-Base interactions energy: -1822.176 where: short stacking energy: -719.432 Base-Backbone interact. energy: -1.138 local terms energy: -685.141793 where: bonds (distance) C4'-P energy: -113.066 bonds (distance) P-C4' energy: -116.097 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -95.419 tors. eta vs tors. theta energy: -208.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2420.910753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.910753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.910753 (E_RNA) where: Base-Base interactions energy: -1760.946 where: short stacking energy: -662.621 Base-Backbone interact. energy: -0.349 local terms energy: -659.616066 where: bonds (distance) C4'-P energy: -112.327 bonds (distance) P-C4' energy: -106.651 flat angles C4'-P-C4' energy: -142.476 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -199.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2304.763202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.763202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.763202 (E_RNA) where: Base-Base interactions energy: -1673.215 where: short stacking energy: -661.242 Base-Backbone interact. energy: -3.950 local terms energy: -627.597774 where: bonds (distance) C4'-P energy: -109.325 bonds (distance) P-C4' energy: -100.979 flat angles C4'-P-C4' energy: -130.853 flat angles P-C4'-P energy: -93.566 tors. eta vs tors. theta energy: -192.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2263.647281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.647281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.647281 (E_RNA) where: Base-Base interactions energy: -1640.150 where: short stacking energy: -638.967 Base-Backbone interact. energy: -0.356 local terms energy: -623.141948 where: bonds (distance) C4'-P energy: -101.801 bonds (distance) P-C4' energy: -102.320 flat angles C4'-P-C4' energy: -140.279 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -193.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2223.112763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.112763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.112763 (E_RNA) where: Base-Base interactions energy: -1635.793 where: short stacking energy: -622.163 Base-Backbone interact. energy: 4.055 local terms energy: -591.374348 where: bonds (distance) C4'-P energy: -101.021 bonds (distance) P-C4' energy: -109.312 flat angles C4'-P-C4' energy: -124.358 flat angles P-C4'-P energy: -84.790 tors. eta vs tors. theta energy: -171.893 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: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -2122.713129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.713129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.713129 (E_RNA) where: Base-Base interactions energy: -1533.460 where: short stacking energy: -599.369 Base-Backbone interact. energy: -1.121 local terms energy: -588.132887 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -107.648 flat angles C4'-P-C4' energy: -127.166 flat angles P-C4'-P energy: -95.675 tors. eta vs tors. theta energy: -175.797 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1944.955379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.955379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.955379 (E_RNA) where: Base-Base interactions energy: -1405.925 where: short stacking energy: -541.176 Base-Backbone interact. energy: 2.525 local terms energy: -541.554958 where: bonds (distance) C4'-P energy: -114.191 bonds (distance) P-C4' energy: -89.998 flat angles C4'-P-C4' energy: -107.124 flat angles P-C4'-P energy: -82.522 tors. eta vs tors. theta energy: -147.720 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: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1807.082926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.082926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.082926 (E_RNA) where: Base-Base interactions energy: -1271.757 where: short stacking energy: -486.687 Base-Backbone interact. energy: 8.803 local terms energy: -544.129231 where: bonds (distance) C4'-P energy: -97.689 bonds (distance) P-C4' energy: -105.028 flat angles C4'-P-C4' energy: -122.499 flat angles P-C4'-P energy: -85.206 tors. eta vs tors. theta energy: -133.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2646.299045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.299045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.299045 (E_RNA) where: Base-Base interactions energy: -1905.561 where: short stacking energy: -736.523 Base-Backbone interact. energy: -0.852 local terms energy: -739.885591 where: bonds (distance) C4'-P energy: -136.897 bonds (distance) P-C4' energy: -121.010 flat angles C4'-P-C4' energy: -157.131 flat angles P-C4'-P energy: -110.714 tors. eta vs tors. theta energy: -214.133 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: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2557.717935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.717935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.717935 (E_RNA) where: Base-Base interactions energy: -1865.394 where: short stacking energy: -730.510 Base-Backbone interact. energy: 0.407 local terms energy: -692.731214 where: bonds (distance) C4'-P energy: -116.644 bonds (distance) P-C4' energy: -120.247 flat angles C4'-P-C4' energy: -142.030 flat angles P-C4'-P energy: -104.683 tors. eta vs tors. theta energy: -209.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2511.436195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.436195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.436195 (E_RNA) where: Base-Base interactions energy: -1819.717 where: short stacking energy: -708.965 Base-Backbone interact. energy: 0.173 local terms energy: -691.892246 where: bonds (distance) C4'-P energy: -109.859 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -149.335 flat angles P-C4'-P energy: -101.963 tors. eta vs tors. theta energy: -220.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2424.756609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.756609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.756609 (E_RNA) where: Base-Base interactions energy: -1756.185 where: short stacking energy: -694.252 Base-Backbone interact. energy: -1.455 local terms energy: -667.115947 where: bonds (distance) C4'-P energy: -112.175 bonds (distance) P-C4' energy: -122.814 flat angles C4'-P-C4' energy: -137.552 flat angles P-C4'-P energy: -88.243 tors. eta vs tors. theta energy: -206.331 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: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2323.395775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.395775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.395775 (E_RNA) where: Base-Base interactions energy: -1675.723 where: short stacking energy: -644.129 Base-Backbone interact. energy: -1.818 local terms energy: -645.854444 where: bonds (distance) C4'-P energy: -118.428 bonds (distance) P-C4' energy: -104.094 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -89.450 tors. eta vs tors. theta energy: -196.289 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2277.774499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.774499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.774499 (E_RNA) where: Base-Base interactions energy: -1657.762 where: short stacking energy: -635.239 Base-Backbone interact. energy: 2.347 local terms energy: -622.360172 where: bonds (distance) C4'-P energy: -111.049 bonds (distance) P-C4' energy: -112.672 flat angles C4'-P-C4' energy: -128.056 flat angles P-C4'-P energy: -85.775 tors. eta vs tors. theta energy: -184.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2258.181989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.181989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.181989 (E_RNA) where: Base-Base interactions energy: -1633.445 where: short stacking energy: -638.924 Base-Backbone interact. energy: 1.184 local terms energy: -625.920893 where: bonds (distance) C4'-P energy: -104.989 bonds (distance) P-C4' energy: -94.384 flat angles C4'-P-C4' energy: -136.045 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -191.694 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: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -2124.143131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.143131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.143131 (E_RNA) where: Base-Base interactions energy: -1549.700 where: short stacking energy: -610.023 Base-Backbone interact. energy: 0.026 local terms energy: -574.469342 where: bonds (distance) C4'-P energy: -93.770 bonds (distance) P-C4' energy: -98.132 flat angles C4'-P-C4' energy: -123.381 flat angles P-C4'-P energy: -81.197 tors. eta vs tors. theta energy: -177.990 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: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1940.324358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.324358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.324358 (E_RNA) where: Base-Base interactions energy: -1380.493 where: short stacking energy: -548.456 Base-Backbone interact. energy: 2.166 local terms energy: -561.997849 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -100.157 flat angles C4'-P-C4' energy: -125.777 flat angles P-C4'-P energy: -64.006 tors. eta vs tors. theta energy: -161.452 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: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1896.705573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.705573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.705573 (E_RNA) where: Base-Base interactions energy: -1343.295 where: short stacking energy: -532.179 Base-Backbone interact. energy: 2.130 local terms energy: -555.540877 where: bonds (distance) C4'-P energy: -90.058 bonds (distance) P-C4' energy: -105.178 flat angles C4'-P-C4' energy: -124.409 flat angles P-C4'-P energy: -89.970 tors. eta vs tors. theta energy: -145.925 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: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2642.322571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.322571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.322571 (E_RNA) where: Base-Base interactions energy: -1921.478 where: short stacking energy: -746.276 Base-Backbone interact. energy: -3.296 local terms energy: -717.548928 where: bonds (distance) C4'-P energy: -121.732 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -143.226 flat angles P-C4'-P energy: -98.202 tors. eta vs tors. theta energy: -214.209 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: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2565.749048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.749048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.749048 (E_RNA) where: Base-Base interactions energy: -1841.323 where: short stacking energy: -725.206 Base-Backbone interact. energy: 0.563 local terms energy: -724.989229 where: bonds (distance) C4'-P energy: -130.757 bonds (distance) P-C4' energy: -116.764 flat angles C4'-P-C4' energy: -148.708 flat angles P-C4'-P energy: -118.844 tors. eta vs tors. theta energy: -209.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2495.985661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.985661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.985661 (E_RNA) where: Base-Base interactions energy: -1804.257 where: short stacking energy: -713.791 Base-Backbone interact. energy: -0.762 local terms energy: -690.967073 where: bonds (distance) C4'-P energy: -119.928 bonds (distance) P-C4' energy: -105.613 flat angles C4'-P-C4' energy: -150.844 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -214.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2515.236163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.236163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.236163 (E_RNA) where: Base-Base interactions energy: -1807.126 where: short stacking energy: -714.292 Base-Backbone interact. energy: -1.563 local terms energy: -706.547348 where: bonds (distance) C4'-P energy: -116.932 bonds (distance) P-C4' energy: -122.720 flat angles C4'-P-C4' energy: -150.919 flat angles P-C4'-P energy: -100.065 tors. eta vs tors. theta energy: -215.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2315.437126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.437126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.437126 (E_RNA) where: Base-Base interactions energy: -1679.296 where: short stacking energy: -654.359 Base-Backbone interact. energy: -0.500 local terms energy: -635.641060 where: bonds (distance) C4'-P energy: -116.949 bonds (distance) P-C4' energy: -111.664 flat angles C4'-P-C4' energy: -122.305 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -195.685 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: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2251.044372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.044372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.044372 (E_RNA) where: Base-Base interactions energy: -1666.667 where: short stacking energy: -631.765 Base-Backbone interact. energy: -2.070 local terms energy: -582.307348 where: bonds (distance) C4'-P energy: -81.706 bonds (distance) P-C4' energy: -111.786 flat angles C4'-P-C4' energy: -135.713 flat angles P-C4'-P energy: -75.581 tors. eta vs tors. theta energy: -177.521 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: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2272.235816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.235816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.235816 (E_RNA) where: Base-Base interactions energy: -1674.019 where: short stacking energy: -655.372 Base-Backbone interact. energy: 0.261 local terms energy: -598.477424 where: bonds (distance) C4'-P energy: -90.523 bonds (distance) P-C4' energy: -101.616 flat angles C4'-P-C4' energy: -123.470 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -186.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -2131.999941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.999941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.999941 (E_RNA) where: Base-Base interactions energy: -1536.997 where: short stacking energy: -606.491 Base-Backbone interact. energy: -0.358 local terms energy: -594.644949 where: bonds (distance) C4'-P energy: -89.200 bonds (distance) P-C4' energy: -115.227 flat angles C4'-P-C4' energy: -129.416 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -170.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1973.751922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.751922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.751922 (E_RNA) where: Base-Base interactions energy: -1397.221 where: short stacking energy: -549.196 Base-Backbone interact. energy: 1.286 local terms energy: -577.816674 where: bonds (distance) C4'-P energy: -108.067 bonds (distance) P-C4' energy: -104.461 flat angles C4'-P-C4' energy: -125.096 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -174.032 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: 180 Temperature: 1.350000 Total energy: -1934.505530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.505530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.505530 (E_RNA) where: Base-Base interactions energy: -1412.112 where: short stacking energy: -543.374 Base-Backbone interact. energy: -1.581 local terms energy: -520.812664 where: bonds (distance) C4'-P energy: -79.110 bonds (distance) P-C4' energy: -95.869 flat angles C4'-P-C4' energy: -114.997 flat angles P-C4'-P energy: -80.956 tors. eta vs tors. theta energy: -149.881 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: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2637.570880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.570880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.570880 (E_RNA) where: Base-Base interactions energy: -1930.772 where: short stacking energy: -744.560 Base-Backbone interact. energy: 2.690 local terms energy: -709.488977 where: bonds (distance) C4'-P energy: -120.506 bonds (distance) P-C4' energy: -123.511 flat angles C4'-P-C4' energy: -155.006 flat angles P-C4'-P energy: -97.607 tors. eta vs tors. theta energy: -212.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2547.978258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.978258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.978258 (E_RNA) where: Base-Base interactions energy: -1841.011 where: short stacking energy: -733.453 Base-Backbone interact. energy: -0.191 local terms energy: -706.776089 where: bonds (distance) C4'-P energy: -112.560 bonds (distance) P-C4' energy: -122.739 flat angles C4'-P-C4' energy: -152.535 flat angles P-C4'-P energy: -101.779 tors. eta vs tors. theta energy: -217.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2478.862063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.862063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.862063 (E_RNA) where: Base-Base interactions energy: -1788.268 where: short stacking energy: -709.734 Base-Backbone interact. energy: -0.614 local terms energy: -689.980167 where: bonds (distance) C4'-P energy: -107.054 bonds (distance) P-C4' energy: -130.059 flat angles C4'-P-C4' energy: -149.119 flat angles P-C4'-P energy: -97.367 tors. eta vs tors. theta energy: -206.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2493.185557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.185557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.185557 (E_RNA) where: Base-Base interactions energy: -1803.799 where: short stacking energy: -712.522 Base-Backbone interact. energy: 0.317 local terms energy: -689.703393 where: bonds (distance) C4'-P energy: -111.259 bonds (distance) P-C4' energy: -120.021 flat angles C4'-P-C4' energy: -148.559 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -208.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2303.227283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.227283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.227283 (E_RNA) where: Base-Base interactions energy: -1675.582 where: short stacking energy: -639.783 Base-Backbone interact. energy: -0.111 local terms energy: -627.533687 where: bonds (distance) C4'-P energy: -119.663 bonds (distance) P-C4' energy: -112.135 flat angles C4'-P-C4' energy: -128.896 flat angles P-C4'-P energy: -93.267 tors. eta vs tors. theta energy: -173.572 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: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2270.924199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.924199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.924199 (E_RNA) where: Base-Base interactions energy: -1661.991 where: short stacking energy: -642.994 Base-Backbone interact. energy: 1.811 local terms energy: -610.743823 where: bonds (distance) C4'-P energy: -99.975 bonds (distance) P-C4' energy: -112.171 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -178.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2301.864370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.864370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.864370 (E_RNA) where: Base-Base interactions energy: -1667.675 where: short stacking energy: -642.645 Base-Backbone interact. energy: -2.595 local terms energy: -631.594558 where: bonds (distance) C4'-P energy: -111.324 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -133.708 flat angles P-C4'-P energy: -93.137 tors. eta vs tors. theta energy: -196.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -2200.538213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.538213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.538213 (E_RNA) where: Base-Base interactions energy: -1618.824 where: short stacking energy: -606.705 Base-Backbone interact. energy: 0.788 local terms energy: -582.502109 where: bonds (distance) C4'-P energy: -103.775 bonds (distance) P-C4' energy: -89.966 flat angles C4'-P-C4' energy: -128.572 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -166.638 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: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1988.037295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.037295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.037295 (E_RNA) where: Base-Base interactions energy: -1426.182 where: short stacking energy: -555.579 Base-Backbone interact. energy: -1.696 local terms energy: -560.159594 where: bonds (distance) C4'-P energy: -86.773 bonds (distance) P-C4' energy: -119.638 flat angles C4'-P-C4' energy: -120.055 flat angles P-C4'-P energy: -71.765 tors. eta vs tors. theta energy: -161.930 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1933.176857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.176857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.176857 (E_RNA) where: Base-Base interactions energy: -1370.819 where: short stacking energy: -521.796 Base-Backbone interact. energy: 1.685 local terms energy: -564.042702 where: bonds (distance) C4'-P energy: -101.001 bonds (distance) P-C4' energy: -108.254 flat angles C4'-P-C4' energy: -123.245 flat angles P-C4'-P energy: -80.381 tors. eta vs tors. theta energy: -151.162 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: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2649.444471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.444471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.444471 (E_RNA) where: Base-Base interactions energy: -1927.593 where: short stacking energy: -754.770 Base-Backbone interact. energy: -1.038 local terms energy: -720.813102 where: bonds (distance) C4'-P energy: -117.269 bonds (distance) P-C4' energy: -128.880 flat angles C4'-P-C4' energy: -148.612 flat angles P-C4'-P energy: -107.185 tors. eta vs tors. theta energy: -218.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2559.550274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.550274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.550274 (E_RNA) where: Base-Base interactions energy: -1840.734 where: short stacking energy: -721.949 Base-Backbone interact. energy: 2.912 local terms energy: -721.728677 where: bonds (distance) C4'-P energy: -129.823 bonds (distance) P-C4' energy: -119.737 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -108.519 tors. eta vs tors. theta energy: -219.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2516.448582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.448582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.448582 (E_RNA) where: Base-Base interactions energy: -1825.311 where: short stacking energy: -719.746 Base-Backbone interact. energy: -0.435 local terms energy: -690.702578 where: bonds (distance) C4'-P energy: -109.866 bonds (distance) P-C4' energy: -121.568 flat angles C4'-P-C4' energy: -139.814 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -220.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2420.309593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.309593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.309593 (E_RNA) where: Base-Base interactions energy: -1748.458 where: short stacking energy: -687.594 Base-Backbone interact. energy: -0.044 local terms energy: -671.808419 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -122.676 flat angles C4'-P-C4' energy: -139.699 flat angles P-C4'-P energy: -95.458 tors. eta vs tors. theta energy: -200.697 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: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2342.984333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.984333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.984333 (E_RNA) where: Base-Base interactions energy: -1676.632 where: short stacking energy: -651.968 Base-Backbone interact. energy: 2.160 local terms energy: -668.512421 where: bonds (distance) C4'-P energy: -116.396 bonds (distance) P-C4' energy: -120.137 flat angles C4'-P-C4' energy: -140.485 flat angles P-C4'-P energy: -103.200 tors. eta vs tors. theta energy: -188.295 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: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2244.292189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.292189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.292189 (E_RNA) where: Base-Base interactions energy: -1616.054 where: short stacking energy: -627.950 Base-Backbone interact. energy: -2.219 local terms energy: -626.018377 where: bonds (distance) C4'-P energy: -100.897 bonds (distance) P-C4' energy: -116.646 flat angles C4'-P-C4' energy: -135.431 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -181.397 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: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2251.190172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.190172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.190172 (E_RNA) where: Base-Base interactions energy: -1620.188 where: short stacking energy: -640.832 Base-Backbone interact. energy: -1.608 local terms energy: -629.393768 where: bonds (distance) C4'-P energy: -104.523 bonds (distance) P-C4' energy: -110.078 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -91.242 tors. eta vs tors. theta energy: -195.969 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: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -2165.016233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.016233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.016233 (E_RNA) where: Base-Base interactions energy: -1577.288 where: short stacking energy: -612.239 Base-Backbone interact. energy: 5.729 local terms energy: -593.457153 where: bonds (distance) C4'-P energy: -95.985 bonds (distance) P-C4' energy: -101.470 flat angles C4'-P-C4' energy: -133.050 flat angles P-C4'-P energy: -76.882 tors. eta vs tors. theta energy: -186.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1946.106937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.106937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.106937 (E_RNA) where: Base-Base interactions energy: -1393.701 where: short stacking energy: -531.947 Base-Backbone interact. energy: 0.273 local terms energy: -552.679151 where: bonds (distance) C4'-P energy: -85.241 bonds (distance) P-C4' energy: -111.658 flat angles C4'-P-C4' energy: -106.753 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -159.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1872.984218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.984218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.984218 (E_RNA) where: Base-Base interactions energy: -1376.800 where: short stacking energy: -516.622 Base-Backbone interact. energy: -5.378 local terms energy: -490.806728 where: bonds (distance) C4'-P energy: -90.112 bonds (distance) P-C4' energy: -83.602 flat angles C4'-P-C4' energy: -106.726 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -145.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2632.263803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.263803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.263803 (E_RNA) where: Base-Base interactions energy: -1907.131 where: short stacking energy: -737.175 Base-Backbone interact. energy: -3.328 local terms energy: -721.804626 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -126.045 flat angles C4'-P-C4' energy: -152.808 flat angles P-C4'-P energy: -103.849 tors. eta vs tors. theta energy: -217.389 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: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2548.751875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.751875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.751875 (E_RNA) where: Base-Base interactions energy: -1859.839 where: short stacking energy: -718.496 Base-Backbone interact. energy: -0.934 local terms energy: -687.978190 where: bonds (distance) C4'-P energy: -115.027 bonds (distance) P-C4' energy: -115.770 flat angles C4'-P-C4' energy: -139.989 flat angles P-C4'-P energy: -106.918 tors. eta vs tors. theta energy: -210.274 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: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2529.812059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.812059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.812059 (E_RNA) where: Base-Base interactions energy: -1831.219 where: short stacking energy: -729.223 Base-Backbone interact. energy: -1.027 local terms energy: -697.566016 where: bonds (distance) C4'-P energy: -122.498 bonds (distance) P-C4' energy: -114.415 flat angles C4'-P-C4' energy: -148.570 flat angles P-C4'-P energy: -100.263 tors. eta vs tors. theta energy: -211.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2431.210662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.210662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.210662 (E_RNA) where: Base-Base interactions energy: -1760.852 where: short stacking energy: -709.730 Base-Backbone interact. energy: -0.119 local terms energy: -670.240050 where: bonds (distance) C4'-P energy: -106.532 bonds (distance) P-C4' energy: -105.458 flat angles C4'-P-C4' energy: -145.963 flat angles P-C4'-P energy: -105.260 tors. eta vs tors. theta energy: -207.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2367.281729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.281729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.281729 (E_RNA) where: Base-Base interactions energy: -1707.636 where: short stacking energy: -664.164 Base-Backbone interact. energy: -0.328 local terms energy: -659.317963 where: bonds (distance) C4'-P energy: -107.989 bonds (distance) P-C4' energy: -120.016 flat angles C4'-P-C4' energy: -147.172 flat angles P-C4'-P energy: -94.403 tors. eta vs tors. theta energy: -189.738 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: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2306.478558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.478558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.478558 (E_RNA) where: Base-Base interactions energy: -1678.176 where: short stacking energy: -675.183 Base-Backbone interact. energy: 1.715 local terms energy: -630.017427 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -109.382 flat angles C4'-P-C4' energy: -131.943 flat angles P-C4'-P energy: -94.017 tors. eta vs tors. theta energy: -193.548 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: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2234.380548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.380548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.380548 (E_RNA) where: Base-Base interactions energy: -1629.457 where: short stacking energy: -627.343 Base-Backbone interact. energy: -0.791 local terms energy: -604.132389 where: bonds (distance) C4'-P energy: -103.164 bonds (distance) P-C4' energy: -105.634 flat angles C4'-P-C4' energy: -136.829 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -178.452 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: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -2194.175711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.175711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.175711 (E_RNA) where: Base-Base interactions energy: -1623.655 where: short stacking energy: -629.373 Base-Backbone interact. energy: 0.393 local terms energy: -570.913136 where: bonds (distance) C4'-P energy: -89.757 bonds (distance) P-C4' energy: -94.327 flat angles C4'-P-C4' energy: -129.394 flat angles P-C4'-P energy: -73.985 tors. eta vs tors. theta energy: -183.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1991.041925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.041925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.041925 (E_RNA) where: Base-Base interactions energy: -1456.840 where: short stacking energy: -575.448 Base-Backbone interact. energy: 0.890 local terms energy: -535.092344 where: bonds (distance) C4'-P energy: -95.479 bonds (distance) P-C4' energy: -91.146 flat angles C4'-P-C4' energy: -115.193 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -171.448 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: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1841.587888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.587888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.587888 (E_RNA) where: Base-Base interactions energy: -1326.549 where: short stacking energy: -508.027 Base-Backbone interact. energy: -1.047 local terms energy: -513.991915 where: bonds (distance) C4'-P energy: -99.955 bonds (distance) P-C4' energy: -88.284 flat angles C4'-P-C4' energy: -110.911 flat angles P-C4'-P energy: -61.824 tors. eta vs tors. theta energy: -153.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2643.406805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.406805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.406805 (E_RNA) where: Base-Base interactions energy: -1929.109 where: short stacking energy: -754.835 Base-Backbone interact. energy: -0.504 local terms energy: -713.794218 where: bonds (distance) C4'-P energy: -120.997 bonds (distance) P-C4' energy: -125.900 flat angles C4'-P-C4' energy: -150.624 flat angles P-C4'-P energy: -101.899 tors. eta vs tors. theta energy: -214.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2541.741860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.741860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.741860 (E_RNA) where: Base-Base interactions energy: -1845.709 where: short stacking energy: -729.004 Base-Backbone interact. energy: -2.593 local terms energy: -693.439757 where: bonds (distance) C4'-P energy: -112.465 bonds (distance) P-C4' energy: -116.077 flat angles C4'-P-C4' energy: -144.672 flat angles P-C4'-P energy: -108.949 tors. eta vs tors. theta energy: -211.277 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: 184 Temperature: 1.000000 Total energy: -2533.351721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.351721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.351721 (E_RNA) where: Base-Base interactions energy: -1830.971 where: short stacking energy: -731.674 Base-Backbone interact. energy: 4.075 local terms energy: -706.455640 where: bonds (distance) C4'-P energy: -113.353 bonds (distance) P-C4' energy: -128.223 flat angles C4'-P-C4' energy: -146.588 flat angles P-C4'-P energy: -102.165 tors. eta vs tors. theta energy: -216.127 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: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2391.613435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.613435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.613435 (E_RNA) where: Base-Base interactions energy: -1751.299 where: short stacking energy: -698.836 Base-Backbone interact. energy: 4.093 local terms energy: -644.407467 where: bonds (distance) C4'-P energy: -90.661 bonds (distance) P-C4' energy: -115.251 flat angles C4'-P-C4' energy: -143.051 flat angles P-C4'-P energy: -94.723 tors. eta vs tors. theta energy: -200.721 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: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2370.076297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.076297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.076297 (E_RNA) where: Base-Base interactions energy: -1709.271 where: short stacking energy: -681.358 Base-Backbone interact. energy: -1.464 local terms energy: -659.341984 where: bonds (distance) C4'-P energy: -109.339 bonds (distance) P-C4' energy: -123.862 flat angles C4'-P-C4' energy: -137.824 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -192.711 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: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2274.370455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.370455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.370455 (E_RNA) where: Base-Base interactions energy: -1650.930 where: short stacking energy: -644.107 Base-Backbone interact. energy: -1.426 local terms energy: -622.014275 where: bonds (distance) C4'-P energy: -102.662 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -137.610 flat angles P-C4'-P energy: -89.700 tors. eta vs tors. theta energy: -183.865 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: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2237.369866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.369866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.369866 (E_RNA) where: Base-Base interactions energy: -1625.207 where: short stacking energy: -626.660 Base-Backbone interact. energy: -2.630 local terms energy: -609.531942 where: bonds (distance) C4'-P energy: -106.384 bonds (distance) P-C4' energy: -108.517 flat angles C4'-P-C4' energy: -131.584 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -179.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -2205.566947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.566947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.566947 (E_RNA) where: Base-Base interactions energy: -1619.717 where: short stacking energy: -620.634 Base-Backbone interact. energy: -1.124 local terms energy: -584.726284 where: bonds (distance) C4'-P energy: -106.695 bonds (distance) P-C4' energy: -93.585 flat angles C4'-P-C4' energy: -121.725 flat angles P-C4'-P energy: -87.459 tors. eta vs tors. theta energy: -175.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -2006.926506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.926506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.926506 (E_RNA) where: Base-Base interactions energy: -1448.745 where: short stacking energy: -579.731 Base-Backbone interact. energy: -0.627 local terms energy: -557.554451 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -93.514 flat angles C4'-P-C4' energy: -120.596 flat angles P-C4'-P energy: -84.367 tors. eta vs tors. theta energy: -164.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1852.278916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.278916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.278916 (E_RNA) where: Base-Base interactions energy: -1337.524 where: short stacking energy: -521.617 Base-Backbone interact. energy: 0.194 local terms energy: -514.948925 where: bonds (distance) C4'-P energy: -91.758 bonds (distance) P-C4' energy: -85.599 flat angles C4'-P-C4' energy: -117.541 flat angles P-C4'-P energy: -70.720 tors. eta vs tors. theta energy: -149.331 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: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2639.711214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.711214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.711214 (E_RNA) where: Base-Base interactions energy: -1933.097 where: short stacking energy: -726.131 Base-Backbone interact. energy: -2.853 local terms energy: -703.761353 where: bonds (distance) C4'-P energy: -123.324 bonds (distance) P-C4' energy: -121.935 flat angles C4'-P-C4' energy: -149.235 flat angles P-C4'-P energy: -98.426 tors. eta vs tors. theta energy: -210.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2580.910417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.910417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.910417 (E_RNA) where: Base-Base interactions energy: -1848.343 where: short stacking energy: -726.661 Base-Backbone interact. energy: -2.945 local terms energy: -729.622345 where: bonds (distance) C4'-P energy: -132.284 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -151.024 flat angles P-C4'-P energy: -103.369 tors. eta vs tors. theta energy: -219.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2508.835229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.835229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.835229 (E_RNA) where: Base-Base interactions energy: -1831.270 where: short stacking energy: -724.002 Base-Backbone interact. energy: 0.404 local terms energy: -677.969164 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -100.747 flat angles C4'-P-C4' energy: -144.458 flat angles P-C4'-P energy: -104.857 tors. eta vs tors. theta energy: -210.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2405.121114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.121114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.121114 (E_RNA) where: Base-Base interactions energy: -1740.266 where: short stacking energy: -689.712 Base-Backbone interact. energy: 0.492 local terms energy: -665.346183 where: bonds (distance) C4'-P energy: -105.311 bonds (distance) P-C4' energy: -122.453 flat angles C4'-P-C4' energy: -142.949 flat angles P-C4'-P energy: -88.965 tors. eta vs tors. theta energy: -205.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2333.132938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.132938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.132938 (E_RNA) where: Base-Base interactions energy: -1717.268 where: short stacking energy: -669.434 Base-Backbone interact. energy: 12.556 local terms energy: -628.421375 where: bonds (distance) C4'-P energy: -104.304 bonds (distance) P-C4' energy: -102.032 flat angles C4'-P-C4' energy: -136.008 flat angles P-C4'-P energy: -94.692 tors. eta vs tors. theta energy: -191.386 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: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2266.803006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.803006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.803006 (E_RNA) where: Base-Base interactions energy: -1638.642 where: short stacking energy: -633.640 Base-Backbone interact. energy: 6.157 local terms energy: -634.317169 where: bonds (distance) C4'-P energy: -105.815 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -183.119 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: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2253.121784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.121784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.121784 (E_RNA) where: Base-Base interactions energy: -1672.015 where: short stacking energy: -626.402 Base-Backbone interact. energy: -1.057 local terms energy: -580.049851 where: bonds (distance) C4'-P energy: -98.487 bonds (distance) P-C4' energy: -107.404 flat angles C4'-P-C4' energy: -109.663 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -179.574 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: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -2217.565242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.565242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.565242 (E_RNA) where: Base-Base interactions energy: -1621.451 where: short stacking energy: -615.681 Base-Backbone interact. energy: 2.049 local terms energy: -598.163530 where: bonds (distance) C4'-P energy: -119.475 bonds (distance) P-C4' energy: -99.325 flat angles C4'-P-C4' energy: -127.656 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -177.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -2014.928140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.928140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.928140 (E_RNA) where: Base-Base interactions energy: -1468.633 where: short stacking energy: -565.226 Base-Backbone interact. energy: 3.184 local terms energy: -549.479477 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -107.837 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -73.320 tors. eta vs tors. theta energy: -160.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1862.575018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.575018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.575018 (E_RNA) where: Base-Base interactions energy: -1334.544 where: short stacking energy: -524.563 Base-Backbone interact. energy: 2.032 local terms energy: -530.063033 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -82.312 flat angles C4'-P-C4' energy: -125.399 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -147.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2627.129080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.129080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.129080 (E_RNA) where: Base-Base interactions energy: -1912.375 where: short stacking energy: -755.011 Base-Backbone interact. energy: -1.322 local terms energy: -713.431834 where: bonds (distance) C4'-P energy: -125.232 bonds (distance) P-C4' energy: -127.363 flat angles C4'-P-C4' energy: -142.240 flat angles P-C4'-P energy: -102.973 tors. eta vs tors. theta energy: -215.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2575.155531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.155531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.155531 (E_RNA) where: Base-Base interactions energy: -1862.303 where: short stacking energy: -716.806 Base-Backbone interact. energy: -1.898 local terms energy: -710.953889 where: bonds (distance) C4'-P energy: -114.494 bonds (distance) P-C4' energy: -132.455 flat angles C4'-P-C4' energy: -142.088 flat angles P-C4'-P energy: -103.379 tors. eta vs tors. theta energy: -218.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2505.783903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.783903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.783903 (E_RNA) where: Base-Base interactions energy: -1815.924 where: short stacking energy: -711.348 Base-Backbone interact. energy: -1.759 local terms energy: -688.100521 where: bonds (distance) C4'-P energy: -120.052 bonds (distance) P-C4' energy: -126.711 flat angles C4'-P-C4' energy: -147.685 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -213.635 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: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2413.293962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.293962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.293962 (E_RNA) where: Base-Base interactions energy: -1737.211 where: short stacking energy: -693.478 Base-Backbone interact. energy: 2.078 local terms energy: -678.160915 where: bonds (distance) C4'-P energy: -114.571 bonds (distance) P-C4' energy: -108.340 flat angles C4'-P-C4' energy: -154.044 flat angles P-C4'-P energy: -98.750 tors. eta vs tors. theta energy: -202.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2357.418265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.418265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.418265 (E_RNA) where: Base-Base interactions energy: -1725.949 where: short stacking energy: -690.276 Base-Backbone interact. energy: -4.685 local terms energy: -626.784509 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -112.020 flat angles C4'-P-C4' energy: -132.603 flat angles P-C4'-P energy: -82.567 tors. eta vs tors. theta energy: -199.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2245.003745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.003745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.003745 (E_RNA) where: Base-Base interactions energy: -1626.385 where: short stacking energy: -613.632 Base-Backbone interact. energy: 1.189 local terms energy: -619.808623 where: bonds (distance) C4'-P energy: -108.704 bonds (distance) P-C4' energy: -106.361 flat angles C4'-P-C4' energy: -130.658 flat angles P-C4'-P energy: -91.071 tors. eta vs tors. theta energy: -183.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2234.920472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.920472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.920472 (E_RNA) where: Base-Base interactions energy: -1641.398 where: short stacking energy: -632.711 Base-Backbone interact. energy: 4.780 local terms energy: -598.302866 where: bonds (distance) C4'-P energy: -111.251 bonds (distance) P-C4' energy: -93.447 flat angles C4'-P-C4' energy: -123.364 flat angles P-C4'-P energy: -91.476 tors. eta vs tors. theta energy: -178.765 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: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -2222.885747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.885747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.885747 (E_RNA) where: Base-Base interactions energy: -1608.609 where: short stacking energy: -619.369 Base-Backbone interact. energy: 3.875 local terms energy: -618.152334 where: bonds (distance) C4'-P energy: -119.251 bonds (distance) P-C4' energy: -101.511 flat angles C4'-P-C4' energy: -123.632 flat angles P-C4'-P energy: -81.748 tors. eta vs tors. theta energy: -192.010 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: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -2046.774077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.774077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.774077 (E_RNA) where: Base-Base interactions energy: -1478.629 where: short stacking energy: -590.286 Base-Backbone interact. energy: -0.213 local terms energy: -567.932014 where: bonds (distance) C4'-P energy: -79.579 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -120.593 flat angles P-C4'-P energy: -91.476 tors. eta vs tors. theta energy: -174.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1859.367603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.367603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.367603 (E_RNA) where: Base-Base interactions energy: -1340.378 where: short stacking energy: -510.993 Base-Backbone interact. energy: -1.301 local terms energy: -517.688627 where: bonds (distance) C4'-P energy: -100.245 bonds (distance) P-C4' energy: -92.373 flat angles C4'-P-C4' energy: -122.580 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: -140.108 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: 187 Temperature: 0.900000 Total energy: -2655.393136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.393136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.393136 (E_RNA) where: Base-Base interactions energy: -1941.571 where: short stacking energy: -763.492 Base-Backbone interact. energy: -0.542 local terms energy: -713.280074 where: bonds (distance) C4'-P energy: -120.171 bonds (distance) P-C4' energy: -127.321 flat angles C4'-P-C4' energy: -155.544 flat angles P-C4'-P energy: -97.336 tors. eta vs tors. theta energy: -212.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2570.231212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.231212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.231212 (E_RNA) where: Base-Base interactions energy: -1862.134 where: short stacking energy: -729.453 Base-Backbone interact. energy: -1.548 local terms energy: -706.549140 where: bonds (distance) C4'-P energy: -123.737 bonds (distance) P-C4' energy: -126.984 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -210.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2538.318208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.318208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.318208 (E_RNA) where: Base-Base interactions energy: -1829.664 where: short stacking energy: -720.066 Base-Backbone interact. energy: -2.857 local terms energy: -705.797504 where: bonds (distance) C4'-P energy: -123.921 bonds (distance) P-C4' energy: -112.154 flat angles C4'-P-C4' energy: -143.681 flat angles P-C4'-P energy: -108.332 tors. eta vs tors. theta energy: -217.709 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: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2466.744023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.744023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.744023 (E_RNA) where: Base-Base interactions energy: -1777.718 where: short stacking energy: -677.806 Base-Backbone interact. energy: 1.070 local terms energy: -690.096721 where: bonds (distance) C4'-P energy: -114.920 bonds (distance) P-C4' energy: -130.397 flat angles C4'-P-C4' energy: -139.793 flat angles P-C4'-P energy: -99.716 tors. eta vs tors. theta energy: -205.271 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: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2356.947517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.947517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.947517 (E_RNA) where: Base-Base interactions energy: -1722.187 where: short stacking energy: -681.106 Base-Backbone interact. energy: 1.619 local terms energy: -636.379331 where: bonds (distance) C4'-P energy: -99.692 bonds (distance) P-C4' energy: -120.066 flat angles C4'-P-C4' energy: -134.629 flat angles P-C4'-P energy: -90.001 tors. eta vs tors. theta energy: -191.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2250.027884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.027884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.027884 (E_RNA) where: Base-Base interactions energy: -1645.786 where: short stacking energy: -633.567 Base-Backbone interact. energy: -2.407 local terms energy: -601.834979 where: bonds (distance) C4'-P energy: -96.233 bonds (distance) P-C4' energy: -99.191 flat angles C4'-P-C4' energy: -127.926 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -186.831 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: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2220.986038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.986038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.986038 (E_RNA) where: Base-Base interactions energy: -1615.145 where: short stacking energy: -613.540 Base-Backbone interact. energy: 1.537 local terms energy: -607.378370 where: bonds (distance) C4'-P energy: -100.114 bonds (distance) P-C4' energy: -111.383 flat angles C4'-P-C4' energy: -128.711 flat angles P-C4'-P energy: -82.105 tors. eta vs tors. theta energy: -185.066 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: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -2204.350346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.350346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.350346 (E_RNA) where: Base-Base interactions energy: -1618.656 where: short stacking energy: -611.185 Base-Backbone interact. energy: -2.860 local terms energy: -582.833792 where: bonds (distance) C4'-P energy: -102.621 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -138.942 flat angles P-C4'-P energy: -71.728 tors. eta vs tors. theta energy: -185.874 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: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1988.876481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.876481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.876481 (E_RNA) where: Base-Base interactions energy: -1430.480 where: short stacking energy: -548.880 Base-Backbone interact. energy: 1.007 local terms energy: -559.403401 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -102.349 flat angles C4'-P-C4' energy: -123.246 flat angles P-C4'-P energy: -71.202 tors. eta vs tors. theta energy: -168.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1868.427762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.427762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.427762 (E_RNA) where: Base-Base interactions energy: -1331.666 where: short stacking energy: -518.309 Base-Backbone interact. energy: 1.619 local terms energy: -538.380848 where: bonds (distance) C4'-P energy: -104.397 bonds (distance) P-C4' energy: -95.558 flat angles C4'-P-C4' energy: -112.920 flat angles P-C4'-P energy: -79.397 tors. eta vs tors. theta energy: -146.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2628.059941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.059941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.059941 (E_RNA) where: Base-Base interactions energy: -1911.881 where: short stacking energy: -746.646 Base-Backbone interact. energy: 1.125 local terms energy: -717.303776 where: bonds (distance) C4'-P energy: -116.166 bonds (distance) P-C4' energy: -134.060 flat angles C4'-P-C4' energy: -146.835 flat angles P-C4'-P energy: -108.069 tors. eta vs tors. theta energy: -212.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2581.179381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.179381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.179381 (E_RNA) where: Base-Base interactions energy: -1849.123 where: short stacking energy: -733.957 Base-Backbone interact. energy: -2.833 local terms energy: -729.223395 where: bonds (distance) C4'-P energy: -132.973 bonds (distance) P-C4' energy: -129.819 flat angles C4'-P-C4' energy: -148.359 flat angles P-C4'-P energy: -103.298 tors. eta vs tors. theta energy: -214.775 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: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2512.613867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.613867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.613867 (E_RNA) where: Base-Base interactions energy: -1816.845 where: short stacking energy: -712.875 Base-Backbone interact. energy: -1.434 local terms energy: -694.335451 where: bonds (distance) C4'-P energy: -118.025 bonds (distance) P-C4' energy: -113.176 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -93.395 tors. eta vs tors. theta energy: -218.122 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: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2466.961531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.961531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.961531 (E_RNA) where: Base-Base interactions energy: -1800.325 where: short stacking energy: -705.410 Base-Backbone interact. energy: 0.539 local terms energy: -667.175286 where: bonds (distance) C4'-P energy: -116.470 bonds (distance) P-C4' energy: -117.929 flat angles C4'-P-C4' energy: -140.701 flat angles P-C4'-P energy: -89.832 tors. eta vs tors. theta energy: -202.243 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: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2384.220218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.220218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.220218 (E_RNA) where: Base-Base interactions energy: -1749.947 where: short stacking energy: -687.907 Base-Backbone interact. energy: -0.565 local terms energy: -633.708431 where: bonds (distance) C4'-P energy: -100.109 bonds (distance) P-C4' energy: -105.976 flat angles C4'-P-C4' energy: -139.040 flat angles P-C4'-P energy: -92.128 tors. eta vs tors. theta energy: -196.457 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: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2295.415730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.415730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.415730 (E_RNA) where: Base-Base interactions energy: -1694.789 where: short stacking energy: -652.214 Base-Backbone interact. energy: -0.775 local terms energy: -599.851651 where: bonds (distance) C4'-P energy: -98.419 bonds (distance) P-C4' energy: -103.399 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -85.159 tors. eta vs tors. theta energy: -187.197 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: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2266.423663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.423663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.423663 (E_RNA) where: Base-Base interactions energy: -1668.740 where: short stacking energy: -653.818 Base-Backbone interact. energy: -1.038 local terms energy: -596.645110 where: bonds (distance) C4'-P energy: -100.582 bonds (distance) P-C4' energy: -97.847 flat angles C4'-P-C4' energy: -130.194 flat angles P-C4'-P energy: -87.389 tors. eta vs tors. theta energy: -180.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -2127.646267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.646267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.646267 (E_RNA) where: Base-Base interactions energy: -1540.313 where: short stacking energy: -598.187 Base-Backbone interact. energy: -2.398 local terms energy: -584.935627 where: bonds (distance) C4'-P energy: -101.564 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -135.541 flat angles P-C4'-P energy: -87.818 tors. eta vs tors. theta energy: -176.072 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: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -2066.598952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.598952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.598952 (E_RNA) where: Base-Base interactions energy: -1466.828 where: short stacking energy: -579.318 Base-Backbone interact. energy: -2.761 local terms energy: -597.009744 where: bonds (distance) C4'-P energy: -104.295 bonds (distance) P-C4' energy: -109.406 flat angles C4'-P-C4' energy: -125.142 flat angles P-C4'-P energy: -78.429 tors. eta vs tors. theta energy: -179.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1802.769182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.769182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.769182 (E_RNA) where: Base-Base interactions energy: -1281.363 where: short stacking energy: -492.285 Base-Backbone interact. energy: 5.821 local terms energy: -527.227130 where: bonds (distance) C4'-P energy: -100.524 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -105.977 flat angles P-C4'-P energy: -89.957 tors. eta vs tors. theta energy: -138.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2631.562523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.562523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.562523 (E_RNA) where: Base-Base interactions energy: -1900.512 where: short stacking energy: -737.483 Base-Backbone interact. energy: 3.567 local terms energy: -734.617005 where: bonds (distance) C4'-P energy: -122.944 bonds (distance) P-C4' energy: -134.970 flat angles C4'-P-C4' energy: -154.413 flat angles P-C4'-P energy: -108.262 tors. eta vs tors. theta energy: -214.028 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: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2566.958249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.958249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.958249 (E_RNA) where: Base-Base interactions energy: -1845.576 where: short stacking energy: -728.630 Base-Backbone interact. energy: -2.089 local terms energy: -719.294054 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -124.091 flat angles C4'-P-C4' energy: -147.380 flat angles P-C4'-P energy: -110.371 tors. eta vs tors. theta energy: -213.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2530.953942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.953942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.953942 (E_RNA) where: Base-Base interactions energy: -1839.197 where: short stacking energy: -727.564 Base-Backbone interact. energy: -0.610 local terms energy: -691.146466 where: bonds (distance) C4'-P energy: -119.038 bonds (distance) P-C4' energy: -112.342 flat angles C4'-P-C4' energy: -149.070 flat angles P-C4'-P energy: -107.343 tors. eta vs tors. theta energy: -203.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2417.605390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.605390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.605390 (E_RNA) where: Base-Base interactions energy: -1759.895 where: short stacking energy: -684.051 Base-Backbone interact. energy: -1.281 local terms energy: -656.429348 where: bonds (distance) C4'-P energy: -108.929 bonds (distance) P-C4' energy: -113.438 flat angles C4'-P-C4' energy: -133.643 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -203.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2385.753237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.753237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.753237 (E_RNA) where: Base-Base interactions energy: -1735.673 where: short stacking energy: -666.975 Base-Backbone interact. energy: -1.225 local terms energy: -648.854776 where: bonds (distance) C4'-P energy: -107.827 bonds (distance) P-C4' energy: -124.290 flat angles C4'-P-C4' energy: -130.947 flat angles P-C4'-P energy: -89.899 tors. eta vs tors. theta energy: -195.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2285.176959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.176959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.176959 (E_RNA) where: Base-Base interactions energy: -1675.383 where: short stacking energy: -650.153 Base-Backbone interact. energy: 0.361 local terms energy: -610.154165 where: bonds (distance) C4'-P energy: -104.842 bonds (distance) P-C4' energy: -103.355 flat angles C4'-P-C4' energy: -133.716 flat angles P-C4'-P energy: -84.851 tors. eta vs tors. theta energy: -183.389 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: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2279.198872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.198872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.198872 (E_RNA) where: Base-Base interactions energy: -1689.751 where: short stacking energy: -638.919 Base-Backbone interact. energy: -2.664 local terms energy: -586.783433 where: bonds (distance) C4'-P energy: -98.080 bonds (distance) P-C4' energy: -79.246 flat angles C4'-P-C4' energy: -131.539 flat angles P-C4'-P energy: -91.731 tors. eta vs tors. theta energy: -186.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -2148.392581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.392581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.392581 (E_RNA) where: Base-Base interactions energy: -1566.125 where: short stacking energy: -593.510 Base-Backbone interact. energy: 0.547 local terms energy: -582.814733 where: bonds (distance) C4'-P energy: -104.617 bonds (distance) P-C4' energy: -100.626 flat angles C4'-P-C4' energy: -126.152 flat angles P-C4'-P energy: -83.584 tors. eta vs tors. theta energy: -167.836 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: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -2051.555380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.555380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.555380 (E_RNA) where: Base-Base interactions energy: -1490.421 where: short stacking energy: -583.414 Base-Backbone interact. energy: -0.398 local terms energy: -560.735906 where: bonds (distance) C4'-P energy: -85.791 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -123.141 flat angles P-C4'-P energy: -84.326 tors. eta vs tors. theta energy: -167.553 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: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1801.708289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.708289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.708289 (E_RNA) where: Base-Base interactions energy: -1306.098 where: short stacking energy: -520.083 Base-Backbone interact. energy: 1.631 local terms energy: -497.241408 where: bonds (distance) C4'-P energy: -81.240 bonds (distance) P-C4' energy: -103.667 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -66.222 tors. eta vs tors. theta energy: -130.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2639.518220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.518220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.518220 (E_RNA) where: Base-Base interactions energy: -1912.186 where: short stacking energy: -730.547 Base-Backbone interact. energy: -0.633 local terms energy: -726.699668 where: bonds (distance) C4'-P energy: -126.091 bonds (distance) P-C4' energy: -125.146 flat angles C4'-P-C4' energy: -155.490 flat angles P-C4'-P energy: -107.592 tors. eta vs tors. theta energy: -212.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2555.327977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.327977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.327977 (E_RNA) where: Base-Base interactions energy: -1843.377 where: short stacking energy: -739.287 Base-Backbone interact. energy: -0.024 local terms energy: -711.927893 where: bonds (distance) C4'-P energy: -133.476 bonds (distance) P-C4' energy: -104.195 flat angles C4'-P-C4' energy: -149.214 flat angles P-C4'-P energy: -110.160 tors. eta vs tors. theta energy: -214.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2529.971339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.971339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.971339 (E_RNA) where: Base-Base interactions energy: -1834.663 where: short stacking energy: -722.499 Base-Backbone interact. energy: -1.490 local terms energy: -693.818896 where: bonds (distance) C4'-P energy: -123.824 bonds (distance) P-C4' energy: -115.586 flat angles C4'-P-C4' energy: -154.122 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -198.533 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: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2428.846934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.846934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.846934 (E_RNA) where: Base-Base interactions energy: -1747.945 where: short stacking energy: -689.292 Base-Backbone interact. energy: 5.434 local terms energy: -686.335400 where: bonds (distance) C4'-P energy: -115.636 bonds (distance) P-C4' energy: -125.278 flat angles C4'-P-C4' energy: -139.302 flat angles P-C4'-P energy: -102.709 tors. eta vs tors. theta energy: -203.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2367.449599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.449599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.449599 (E_RNA) where: Base-Base interactions energy: -1717.625 where: short stacking energy: -687.171 Base-Backbone interact. energy: -1.389 local terms energy: -648.435519 where: bonds (distance) C4'-P energy: -112.351 bonds (distance) P-C4' energy: -102.690 flat angles C4'-P-C4' energy: -143.279 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -193.880 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: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2317.713818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.713818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.713818 (E_RNA) where: Base-Base interactions energy: -1724.253 where: short stacking energy: -661.803 Base-Backbone interact. energy: -1.261 local terms energy: -592.199756 where: bonds (distance) C4'-P energy: -94.223 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -124.925 flat angles P-C4'-P energy: -74.885 tors. eta vs tors. theta energy: -197.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2292.400206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.400206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.400206 (E_RNA) where: Base-Base interactions energy: -1689.050 where: short stacking energy: -666.995 Base-Backbone interact. energy: 0.131 local terms energy: -603.481463 where: bonds (distance) C4'-P energy: -101.541 bonds (distance) P-C4' energy: -97.516 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -193.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -2155.479496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.479496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.479496 (E_RNA) where: Base-Base interactions energy: -1586.187 where: short stacking energy: -614.911 Base-Backbone interact. energy: 0.149 local terms energy: -569.441891 where: bonds (distance) C4'-P energy: -96.566 bonds (distance) P-C4' energy: -78.947 flat angles C4'-P-C4' energy: -134.423 flat angles P-C4'-P energy: -83.561 tors. eta vs tors. theta energy: -175.946 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -2067.158867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.158867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.158867 (E_RNA) where: Base-Base interactions energy: -1496.887 where: short stacking energy: -566.859 Base-Backbone interact. energy: 1.484 local terms energy: -571.755620 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -94.867 flat angles C4'-P-C4' energy: -118.773 flat angles P-C4'-P energy: -81.620 tors. eta vs tors. theta energy: -169.382 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: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1876.055862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.055862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.055862 (E_RNA) where: Base-Base interactions energy: -1323.115 where: short stacking energy: -508.993 Base-Backbone interact. energy: -0.925 local terms energy: -552.015984 where: bonds (distance) C4'-P energy: -91.688 bonds (distance) P-C4' energy: -114.995 flat angles C4'-P-C4' energy: -129.337 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: -146.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2632.530242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.530242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.530242 (E_RNA) where: Base-Base interactions energy: -1924.376 where: short stacking energy: -738.695 Base-Backbone interact. energy: 1.156 local terms energy: -709.310115 where: bonds (distance) C4'-P energy: -125.960 bonds (distance) P-C4' energy: -126.915 flat angles C4'-P-C4' energy: -147.305 flat angles P-C4'-P energy: -102.801 tors. eta vs tors. theta energy: -206.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2557.475083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.475083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.475083 (E_RNA) where: Base-Base interactions energy: -1824.028 where: short stacking energy: -715.143 Base-Backbone interact. energy: -1.341 local terms energy: -732.106900 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -133.981 flat angles C4'-P-C4' energy: -152.355 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -217.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2524.010797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.010797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.010797 (E_RNA) where: Base-Base interactions energy: -1836.981 where: short stacking energy: -731.452 Base-Backbone interact. energy: 1.139 local terms energy: -688.168734 where: bonds (distance) C4'-P energy: -122.053 bonds (distance) P-C4' energy: -111.561 flat angles C4'-P-C4' energy: -151.753 flat angles P-C4'-P energy: -93.371 tors. eta vs tors. theta energy: -209.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2429.508314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.508314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.508314 (E_RNA) where: Base-Base interactions energy: -1782.721 where: short stacking energy: -679.068 Base-Backbone interact. energy: 0.790 local terms energy: -647.577488 where: bonds (distance) C4'-P energy: -95.375 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -142.603 flat angles P-C4'-P energy: -90.981 tors. eta vs tors. theta energy: -200.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2390.202317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.202317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.202317 (E_RNA) where: Base-Base interactions energy: -1741.149 where: short stacking energy: -685.327 Base-Backbone interact. energy: -0.921 local terms energy: -648.132536 where: bonds (distance) C4'-P energy: -123.998 bonds (distance) P-C4' energy: -102.399 flat angles C4'-P-C4' energy: -133.269 flat angles P-C4'-P energy: -90.338 tors. eta vs tors. theta energy: -198.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2307.654487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.654487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.654487 (E_RNA) where: Base-Base interactions energy: -1669.462 where: short stacking energy: -653.234 Base-Backbone interact. energy: -2.600 local terms energy: -635.591618 where: bonds (distance) C4'-P energy: -94.702 bonds (distance) P-C4' energy: -121.062 flat angles C4'-P-C4' energy: -136.506 flat angles P-C4'-P energy: -85.292 tors. eta vs tors. theta energy: -198.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2271.286016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.286016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.286016 (E_RNA) where: Base-Base interactions energy: -1647.960 where: short stacking energy: -630.638 Base-Backbone interact. energy: 0.073 local terms energy: -623.398382 where: bonds (distance) C4'-P energy: -103.517 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -90.169 tors. eta vs tors. theta energy: -191.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -2161.218946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.218946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.218946 (E_RNA) where: Base-Base interactions energy: -1553.403 where: short stacking energy: -599.554 Base-Backbone interact. energy: -3.018 local terms energy: -604.798188 where: bonds (distance) C4'-P energy: -104.144 bonds (distance) P-C4' energy: -104.832 flat angles C4'-P-C4' energy: -129.199 flat angles P-C4'-P energy: -94.770 tors. eta vs tors. theta energy: -171.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -2081.502959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.502959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.502959 (E_RNA) where: Base-Base interactions energy: -1519.580 where: short stacking energy: -577.235 Base-Backbone interact. energy: -1.655 local terms energy: -560.267670 where: bonds (distance) C4'-P energy: -92.326 bonds (distance) P-C4' energy: -95.210 flat angles C4'-P-C4' energy: -130.214 flat angles P-C4'-P energy: -72.598 tors. eta vs tors. theta energy: -169.920 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: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1902.391017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.391017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.391017 (E_RNA) where: Base-Base interactions energy: -1410.480 where: short stacking energy: -549.105 Base-Backbone interact. energy: 10.521 local terms energy: -502.431950 where: bonds (distance) C4'-P energy: -62.752 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -74.104 tors. eta vs tors. theta energy: -148.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2637.186617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.186617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.186617 (E_RNA) where: Base-Base interactions energy: -1910.329 where: short stacking energy: -741.253 Base-Backbone interact. energy: -3.010 local terms energy: -723.847406 where: bonds (distance) C4'-P energy: -130.194 bonds (distance) P-C4' energy: -127.742 flat angles C4'-P-C4' energy: -146.479 flat angles P-C4'-P energy: -104.806 tors. eta vs tors. theta energy: -214.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2542.048023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.048023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.048023 (E_RNA) where: Base-Base interactions energy: -1823.972 where: short stacking energy: -727.466 Base-Backbone interact. energy: 0.465 local terms energy: -718.540948 where: bonds (distance) C4'-P energy: -123.758 bonds (distance) P-C4' energy: -119.722 flat angles C4'-P-C4' energy: -155.205 flat angles P-C4'-P energy: -107.519 tors. eta vs tors. theta energy: -212.336 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: 3, replica: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2539.699142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.699142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.699142 (E_RNA) where: Base-Base interactions energy: -1846.570 where: short stacking energy: -724.114 Base-Backbone interact. energy: -0.234 local terms energy: -692.895024 where: bonds (distance) C4'-P energy: -111.870 bonds (distance) P-C4' energy: -122.044 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -100.429 tors. eta vs tors. theta energy: -214.400 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: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2488.585637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.585637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.585637 (E_RNA) where: Base-Base interactions energy: -1779.407 where: short stacking energy: -707.783 Base-Backbone interact. energy: 6.168 local terms energy: -715.347013 where: bonds (distance) C4'-P energy: -123.669 bonds (distance) P-C4' energy: -134.206 flat angles C4'-P-C4' energy: -141.440 flat angles P-C4'-P energy: -100.540 tors. eta vs tors. theta energy: -215.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2405.686867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.686867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.686867 (E_RNA) where: Base-Base interactions energy: -1768.355 where: short stacking energy: -699.861 Base-Backbone interact. energy: 2.638 local terms energy: -639.969522 where: bonds (distance) C4'-P energy: -111.818 bonds (distance) P-C4' energy: -108.158 flat angles C4'-P-C4' energy: -140.801 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -198.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2281.814417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.814417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.814417 (E_RNA) where: Base-Base interactions energy: -1658.722 where: short stacking energy: -636.550 Base-Backbone interact. energy: -2.587 local terms energy: -620.506292 where: bonds (distance) C4'-P energy: -108.181 bonds (distance) P-C4' energy: -118.681 flat angles C4'-P-C4' energy: -133.073 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: -182.210 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: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2294.175854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.175854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.175854 (E_RNA) where: Base-Base interactions energy: -1686.111 where: short stacking energy: -646.067 Base-Backbone interact. energy: 2.439 local terms energy: -610.503110 where: bonds (distance) C4'-P energy: -91.021 bonds (distance) P-C4' energy: -105.497 flat angles C4'-P-C4' energy: -125.600 flat angles P-C4'-P energy: -93.856 tors. eta vs tors. theta energy: -194.529 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: 192 Temperature: 1.250000 Total energy: -2136.286688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.286688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.286688 (E_RNA) where: Base-Base interactions energy: -1548.941 where: short stacking energy: -592.199 Base-Backbone interact. energy: 3.184 local terms energy: -590.529482 where: bonds (distance) C4'-P energy: -105.304 bonds (distance) P-C4' energy: -101.620 flat angles C4'-P-C4' energy: -126.385 flat angles P-C4'-P energy: -87.092 tors. eta vs tors. theta energy: -170.128 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: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -2105.279700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.279700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.279700 (E_RNA) where: Base-Base interactions energy: -1546.835 where: short stacking energy: -605.574 Base-Backbone interact. energy: -0.336 local terms energy: -558.108675 where: bonds (distance) C4'-P energy: -96.254 bonds (distance) P-C4' energy: -91.564 flat angles C4'-P-C4' energy: -127.873 flat angles P-C4'-P energy: -67.048 tors. eta vs tors. theta energy: -175.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1915.880520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.880520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.880520 (E_RNA) where: Base-Base interactions energy: -1390.996 where: short stacking energy: -540.252 Base-Backbone interact. energy: -3.339 local terms energy: -521.545650 where: bonds (distance) C4'-P energy: -93.631 bonds (distance) P-C4' energy: -79.799 flat angles C4'-P-C4' energy: -117.183 flat angles P-C4'-P energy: -68.262 tors. eta vs tors. theta energy: -162.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2624.371356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.371356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.371356 (E_RNA) where: Base-Base interactions energy: -1903.730 where: short stacking energy: -732.496 Base-Backbone interact. energy: -3.070 local terms energy: -717.570895 where: bonds (distance) C4'-P energy: -114.585 bonds (distance) P-C4' energy: -122.505 flat angles C4'-P-C4' energy: -158.892 flat angles P-C4'-P energy: -102.634 tors. eta vs tors. theta energy: -218.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2572.687373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.687373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.687373 (E_RNA) where: Base-Base interactions energy: -1849.240 where: short stacking energy: -724.857 Base-Backbone interact. energy: -0.446 local terms energy: -723.001090 where: bonds (distance) C4'-P energy: -121.997 bonds (distance) P-C4' energy: -128.876 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -107.791 tors. eta vs tors. theta energy: -213.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2527.424616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.424616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.424616 (E_RNA) where: Base-Base interactions energy: -1842.779 where: short stacking energy: -718.973 Base-Backbone interact. energy: 0.733 local terms energy: -685.378594 where: bonds (distance) C4'-P energy: -107.346 bonds (distance) P-C4' energy: -115.030 flat angles C4'-P-C4' energy: -145.095 flat angles P-C4'-P energy: -101.379 tors. eta vs tors. theta energy: -216.528 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: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2508.021096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.021096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.021096 (E_RNA) where: Base-Base interactions energy: -1832.703 where: short stacking energy: -697.987 Base-Backbone interact. energy: -0.157 local terms energy: -675.161004 where: bonds (distance) C4'-P energy: -106.533 bonds (distance) P-C4' energy: -114.034 flat angles C4'-P-C4' energy: -142.415 flat angles P-C4'-P energy: -103.457 tors. eta vs tors. theta energy: -208.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2382.577226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.577226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.577226 (E_RNA) where: Base-Base interactions energy: -1723.729 where: short stacking energy: -678.915 Base-Backbone interact. energy: -0.669 local terms energy: -658.178850 where: bonds (distance) C4'-P energy: -104.992 bonds (distance) P-C4' energy: -109.836 flat angles C4'-P-C4' energy: -141.191 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -203.062 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: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2358.370892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.370892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.370892 (E_RNA) where: Base-Base interactions energy: -1738.182 where: short stacking energy: -664.365 Base-Backbone interact. energy: 0.695 local terms energy: -620.884547 where: bonds (distance) C4'-P energy: -120.848 bonds (distance) P-C4' energy: -95.038 flat angles C4'-P-C4' energy: -125.630 flat angles P-C4'-P energy: -74.910 tors. eta vs tors. theta energy: -204.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2299.864771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.864771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.864771 (E_RNA) where: Base-Base interactions energy: -1704.608 where: short stacking energy: -653.032 Base-Backbone interact. energy: 0.015 local terms energy: -595.271999 where: bonds (distance) C4'-P energy: -98.511 bonds (distance) P-C4' energy: -89.495 flat angles C4'-P-C4' energy: -143.086 flat angles P-C4'-P energy: -75.813 tors. eta vs tors. theta energy: -188.367 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: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -2165.794846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.794846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.794846 (E_RNA) where: Base-Base interactions energy: -1596.697 where: short stacking energy: -607.451 Base-Backbone interact. energy: 2.386 local terms energy: -571.483206 where: bonds (distance) C4'-P energy: -108.620 bonds (distance) P-C4' energy: -98.717 flat angles C4'-P-C4' energy: -126.327 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -164.738 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: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -2089.069801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.069801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.069801 (E_RNA) where: Base-Base interactions energy: -1514.373 where: short stacking energy: -586.010 Base-Backbone interact. energy: -1.571 local terms energy: -573.125604 where: bonds (distance) C4'-P energy: -100.273 bonds (distance) P-C4' energy: -92.672 flat angles C4'-P-C4' energy: -120.088 flat angles P-C4'-P energy: -84.200 tors. eta vs tors. theta energy: -175.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1808.806375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.806375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.806375 (E_RNA) where: Base-Base interactions energy: -1271.955 where: short stacking energy: -509.614 Base-Backbone interact. energy: -0.916 local terms energy: -535.934705 where: bonds (distance) C4'-P energy: -107.698 bonds (distance) P-C4' energy: -93.099 flat angles C4'-P-C4' energy: -114.750 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -141.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2636.496937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.496937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.496937 (E_RNA) where: Base-Base interactions energy: -1916.986 where: short stacking energy: -739.432 Base-Backbone interact. energy: -1.787 local terms energy: -717.724217 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -126.530 flat angles C4'-P-C4' energy: -159.660 flat angles P-C4'-P energy: -103.469 tors. eta vs tors. theta energy: -215.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2565.391526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.391526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.391526 (E_RNA) where: Base-Base interactions energy: -1864.538 where: short stacking energy: -737.133 Base-Backbone interact. energy: 0.947 local terms energy: -701.800137 where: bonds (distance) C4'-P energy: -120.292 bonds (distance) P-C4' energy: -119.628 flat angles C4'-P-C4' energy: -145.976 flat angles P-C4'-P energy: -105.291 tors. eta vs tors. theta energy: -210.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2523.151091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.151091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.151091 (E_RNA) where: Base-Base interactions energy: -1820.743 where: short stacking energy: -718.104 Base-Backbone interact. energy: 1.180 local terms energy: -703.588378 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -121.414 flat angles C4'-P-C4' energy: -142.180 flat angles P-C4'-P energy: -103.621 tors. eta vs tors. theta energy: -216.791 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2494.124084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.124084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.124084 (E_RNA) where: Base-Base interactions energy: -1817.424 where: short stacking energy: -712.698 Base-Backbone interact. energy: 0.765 local terms energy: -677.465418 where: bonds (distance) C4'-P energy: -104.806 bonds (distance) P-C4' energy: -119.324 flat angles C4'-P-C4' energy: -142.506 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -210.750 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: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2403.853297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.853297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.853297 (E_RNA) where: Base-Base interactions energy: -1733.876 where: short stacking energy: -654.653 Base-Backbone interact. energy: -1.315 local terms energy: -668.662459 where: bonds (distance) C4'-P energy: -115.218 bonds (distance) P-C4' energy: -117.997 flat angles C4'-P-C4' energy: -144.519 flat angles P-C4'-P energy: -101.395 tors. eta vs tors. theta energy: -189.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2343.913177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.913177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.913177 (E_RNA) where: Base-Base interactions energy: -1690.859 where: short stacking energy: -670.745 Base-Backbone interact. energy: -2.481 local terms energy: -650.572838 where: bonds (distance) C4'-P energy: -101.001 bonds (distance) P-C4' energy: -106.867 flat angles C4'-P-C4' energy: -141.658 flat angles P-C4'-P energy: -96.405 tors. eta vs tors. theta energy: -204.642 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: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2265.334465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.334465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.334465 (E_RNA) where: Base-Base interactions energy: -1656.320 where: short stacking energy: -650.633 Base-Backbone interact. energy: -2.883 local terms energy: -606.131378 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -93.538 flat angles C4'-P-C4' energy: -123.119 flat angles P-C4'-P energy: -83.683 tors. eta vs tors. theta energy: -192.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -2172.432239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.432239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.432239 (E_RNA) where: Base-Base interactions energy: -1573.079 where: short stacking energy: -618.231 Base-Backbone interact. energy: -4.125 local terms energy: -595.227867 where: bonds (distance) C4'-P energy: -92.620 bonds (distance) P-C4' energy: -108.575 flat angles C4'-P-C4' energy: -133.444 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -177.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -2112.851396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.851396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.851396 (E_RNA) where: Base-Base interactions energy: -1549.656 where: short stacking energy: -591.797 Base-Backbone interact. energy: -1.122 local terms energy: -562.073364 where: bonds (distance) C4'-P energy: -86.578 bonds (distance) P-C4' energy: -103.150 flat angles C4'-P-C4' energy: -125.741 flat angles P-C4'-P energy: -75.922 tors. eta vs tors. theta energy: -170.681 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: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1832.424645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.424645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.424645 (E_RNA) where: Base-Base interactions energy: -1293.036 where: short stacking energy: -503.135 Base-Backbone interact. energy: -2.093 local terms energy: -537.295714 where: bonds (distance) C4'-P energy: -95.488 bonds (distance) P-C4' energy: -117.806 flat angles C4'-P-C4' energy: -115.717 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -129.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2638.815931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.815931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.815931 (E_RNA) where: Base-Base interactions energy: -1900.632 where: short stacking energy: -715.685 Base-Backbone interact. energy: -2.574 local terms energy: -735.610900 where: bonds (distance) C4'-P energy: -131.497 bonds (distance) P-C4' energy: -128.866 flat angles C4'-P-C4' energy: -155.043 flat angles P-C4'-P energy: -108.405 tors. eta vs tors. theta energy: -211.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2564.537063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.537063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.537063 (E_RNA) where: Base-Base interactions energy: -1830.014 where: short stacking energy: -719.642 Base-Backbone interact. energy: 0.354 local terms energy: -734.876431 where: bonds (distance) C4'-P energy: -130.891 bonds (distance) P-C4' energy: -121.676 flat angles C4'-P-C4' energy: -154.212 flat angles P-C4'-P energy: -115.425 tors. eta vs tors. theta energy: -212.671 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: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2530.999635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.999635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.999635 (E_RNA) where: Base-Base interactions energy: -1835.554 where: short stacking energy: -709.461 Base-Backbone interact. energy: -2.163 local terms energy: -693.282762 where: bonds (distance) C4'-P energy: -117.295 bonds (distance) P-C4' energy: -118.399 flat angles C4'-P-C4' energy: -149.242 flat angles P-C4'-P energy: -100.763 tors. eta vs tors. theta energy: -207.584 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2503.999741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.999741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.999741 (E_RNA) where: Base-Base interactions energy: -1812.241 where: short stacking energy: -699.460 Base-Backbone interact. energy: -2.638 local terms energy: -689.120573 where: bonds (distance) C4'-P energy: -128.972 bonds (distance) P-C4' energy: -104.319 flat angles C4'-P-C4' energy: -146.926 flat angles P-C4'-P energy: -97.933 tors. eta vs tors. theta energy: -210.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2419.558061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.558061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.558061 (E_RNA) where: Base-Base interactions energy: -1767.759 where: short stacking energy: -661.304 Base-Backbone interact. energy: 1.337 local terms energy: -653.136201 where: bonds (distance) C4'-P energy: -110.223 bonds (distance) P-C4' energy: -113.316 flat angles C4'-P-C4' energy: -142.314 flat angles P-C4'-P energy: -88.037 tors. eta vs tors. theta energy: -199.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2372.161817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.161817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.161817 (E_RNA) where: Base-Base interactions energy: -1734.580 where: short stacking energy: -670.765 Base-Backbone interact. energy: -1.618 local terms energy: -635.963978 where: bonds (distance) C4'-P energy: -98.772 bonds (distance) P-C4' energy: -122.658 flat angles C4'-P-C4' energy: -131.318 flat angles P-C4'-P energy: -88.370 tors. eta vs tors. theta energy: -194.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2284.765216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.765216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.765216 (E_RNA) where: Base-Base interactions energy: -1668.375 where: short stacking energy: -654.741 Base-Backbone interact. energy: -1.050 local terms energy: -615.340093 where: bonds (distance) C4'-P energy: -105.860 bonds (distance) P-C4' energy: -98.461 flat angles C4'-P-C4' energy: -133.915 flat angles P-C4'-P energy: -88.523 tors. eta vs tors. theta energy: -188.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -2119.067233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.067233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.067233 (E_RNA) where: Base-Base interactions energy: -1541.004 where: short stacking energy: -613.262 Base-Backbone interact. energy: -0.164 local terms energy: -577.899661 where: bonds (distance) C4'-P energy: -89.025 bonds (distance) P-C4' energy: -112.643 flat angles C4'-P-C4' energy: -117.818 flat angles P-C4'-P energy: -74.967 tors. eta vs tors. theta energy: -183.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -2129.886791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.886791 (E_RNA) where: Base-Base interactions energy: -1547.163 where: short stacking energy: -581.954 Base-Backbone interact. energy: 0.228 local terms energy: -582.951981 where: bonds (distance) C4'-P energy: -104.448 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -132.441 flat angles P-C4'-P energy: -89.118 tors. eta vs tors. theta energy: -171.317 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: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1789.989671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.989671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.989671 (E_RNA) where: Base-Base interactions energy: -1304.398 where: short stacking energy: -507.782 Base-Backbone interact. energy: -0.454 local terms energy: -485.137730 where: bonds (distance) C4'-P energy: -90.841 bonds (distance) P-C4' energy: -75.571 flat angles C4'-P-C4' energy: -114.735 flat angles P-C4'-P energy: -67.329 tors. eta vs tors. theta energy: -136.662 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: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2591.357052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.357052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.357052 (E_RNA) where: Base-Base interactions energy: -1862.296 where: short stacking energy: -749.427 Base-Backbone interact. energy: 0.416 local terms energy: -729.477087 where: bonds (distance) C4'-P energy: -115.152 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -116.762 tors. eta vs tors. theta energy: -229.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2603.787612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.787612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.787612 (E_RNA) where: Base-Base interactions energy: -1902.055 where: short stacking energy: -738.621 Base-Backbone interact. energy: -0.474 local terms energy: -701.258161 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -132.257 flat angles C4'-P-C4' energy: -138.569 flat angles P-C4'-P energy: -101.629 tors. eta vs tors. theta energy: -211.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2505.806194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.806194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.806194 (E_RNA) where: Base-Base interactions energy: -1815.202 where: short stacking energy: -701.656 Base-Backbone interact. energy: -1.863 local terms energy: -688.741327 where: bonds (distance) C4'-P energy: -123.407 bonds (distance) P-C4' energy: -121.800 flat angles C4'-P-C4' energy: -145.441 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -205.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2461.197158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.197158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.197158 (E_RNA) where: Base-Base interactions energy: -1788.804 where: short stacking energy: -704.536 Base-Backbone interact. energy: 0.075 local terms energy: -672.468436 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -113.685 flat angles C4'-P-C4' energy: -145.683 flat angles P-C4'-P energy: -99.462 tors. eta vs tors. theta energy: -207.903 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: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2406.915178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.915178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.915178 (E_RNA) where: Base-Base interactions energy: -1757.720 where: short stacking energy: -683.683 Base-Backbone interact. energy: 0.486 local terms energy: -649.680789 where: bonds (distance) C4'-P energy: -101.063 bonds (distance) P-C4' energy: -118.368 flat angles C4'-P-C4' energy: -140.977 flat angles P-C4'-P energy: -83.161 tors. eta vs tors. theta energy: -206.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2342.293629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.293629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.293629 (E_RNA) where: Base-Base interactions energy: -1706.450 where: short stacking energy: -661.845 Base-Backbone interact. energy: -2.111 local terms energy: -633.732738 where: bonds (distance) C4'-P energy: -100.545 bonds (distance) P-C4' energy: -109.821 flat angles C4'-P-C4' energy: -139.818 flat angles P-C4'-P energy: -82.026 tors. eta vs tors. theta energy: -201.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2258.648357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.648357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.648357 (E_RNA) where: Base-Base interactions energy: -1656.393 where: short stacking energy: -648.020 Base-Backbone interact. energy: -1.942 local terms energy: -600.313642 where: bonds (distance) C4'-P energy: -96.937 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -127.140 flat angles P-C4'-P energy: -97.080 tors. eta vs tors. theta energy: -186.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -2162.515156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.515156 (E_RNA) where: Base-Base interactions energy: -1577.231 where: short stacking energy: -608.405 Base-Backbone interact. energy: 3.144 local terms energy: -588.428576 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -93.456 flat angles C4'-P-C4' energy: -132.992 flat angles P-C4'-P energy: -86.073 tors. eta vs tors. theta energy: -176.673 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: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -2114.204765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.204765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.204765 (E_RNA) where: Base-Base interactions energy: -1533.190 where: short stacking energy: -568.247 Base-Backbone interact. energy: 1.448 local terms energy: -582.462256 where: bonds (distance) C4'-P energy: -97.118 bonds (distance) P-C4' energy: -104.273 flat angles C4'-P-C4' energy: -129.166 flat angles P-C4'-P energy: -84.669 tors. eta vs tors. theta energy: -167.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1751.788698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.788698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.788698 (E_RNA) where: Base-Base interactions energy: -1249.415 where: short stacking energy: -498.467 Base-Backbone interact. energy: -0.664 local terms energy: -501.709591 where: bonds (distance) C4'-P energy: -103.100 bonds (distance) P-C4' energy: -108.531 flat angles C4'-P-C4' energy: -107.032 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -132.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2601.142197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.142197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.142197 (E_RNA) where: Base-Base interactions energy: -1872.047 where: short stacking energy: -741.225 Base-Backbone interact. energy: -1.067 local terms energy: -728.028566 where: bonds (distance) C4'-P energy: -120.357 bonds (distance) P-C4' energy: -129.385 flat angles C4'-P-C4' energy: -146.674 flat angles P-C4'-P energy: -106.337 tors. eta vs tors. theta energy: -225.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2565.386458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.386458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.386458 (E_RNA) where: Base-Base interactions energy: -1889.378 where: short stacking energy: -723.217 Base-Backbone interact. energy: 0.768 local terms energy: -676.776466 where: bonds (distance) C4'-P energy: -124.740 bonds (distance) P-C4' energy: -109.846 flat angles C4'-P-C4' energy: -132.999 flat angles P-C4'-P energy: -101.405 tors. eta vs tors. theta energy: -207.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2500.922610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.922610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.922610 (E_RNA) where: Base-Base interactions energy: -1837.723 where: short stacking energy: -700.594 Base-Backbone interact. energy: -1.305 local terms energy: -661.894299 where: bonds (distance) C4'-P energy: -103.044 bonds (distance) P-C4' energy: -118.959 flat angles C4'-P-C4' energy: -145.851 flat angles P-C4'-P energy: -93.711 tors. eta vs tors. theta energy: -200.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2411.931954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.931954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.931954 (E_RNA) where: Base-Base interactions energy: -1751.109 where: short stacking energy: -683.200 Base-Backbone interact. energy: -1.934 local terms energy: -658.888581 where: bonds (distance) C4'-P energy: -104.880 bonds (distance) P-C4' energy: -112.968 flat angles C4'-P-C4' energy: -144.113 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -196.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2393.313305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.313305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.313305 (E_RNA) where: Base-Base interactions energy: -1755.204 where: short stacking energy: -678.834 Base-Backbone interact. energy: 0.836 local terms energy: -638.945175 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -104.085 flat angles C4'-P-C4' energy: -138.509 flat angles P-C4'-P energy: -92.155 tors. eta vs tors. theta energy: -201.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2301.779902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.779902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.779902 (E_RNA) where: Base-Base interactions energy: -1682.279 where: short stacking energy: -653.942 Base-Backbone interact. energy: 0.214 local terms energy: -619.714936 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -103.148 flat angles C4'-P-C4' energy: -133.902 flat angles P-C4'-P energy: -83.357 tors. eta vs tors. theta energy: -185.368 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: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2255.251676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.251676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.251676 (E_RNA) where: Base-Base interactions energy: -1636.347 where: short stacking energy: -632.023 Base-Backbone interact. energy: -0.846 local terms energy: -618.058427 where: bonds (distance) C4'-P energy: -95.804 bonds (distance) P-C4' energy: -102.715 flat angles C4'-P-C4' energy: -141.336 flat angles P-C4'-P energy: -90.333 tors. eta vs tors. theta energy: -187.870 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: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -2171.276607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.276607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.276607 (E_RNA) where: Base-Base interactions energy: -1584.680 where: short stacking energy: -603.022 Base-Backbone interact. energy: -1.137 local terms energy: -585.459344 where: bonds (distance) C4'-P energy: -97.457 bonds (distance) P-C4' energy: -100.261 flat angles C4'-P-C4' energy: -118.480 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -173.754 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: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -2105.416244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.416244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.416244 (E_RNA) where: Base-Base interactions energy: -1562.727 where: short stacking energy: -599.796 Base-Backbone interact. energy: -0.627 local terms energy: -542.061864 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -84.632 flat angles C4'-P-C4' energy: -121.487 flat angles P-C4'-P energy: -79.259 tors. eta vs tors. theta energy: -167.139 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: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1721.876312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.876312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.876312 (E_RNA) where: Base-Base interactions energy: -1244.075 where: short stacking energy: -470.297 Base-Backbone interact. energy: 1.565 local terms energy: -479.366393 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -88.601 flat angles C4'-P-C4' energy: -115.630 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -120.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2609.049136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.049136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.049136 (E_RNA) where: Base-Base interactions energy: -1908.678 where: short stacking energy: -753.483 Base-Backbone interact. energy: -1.578 local terms energy: -698.793041 where: bonds (distance) C4'-P energy: -111.416 bonds (distance) P-C4' energy: -124.983 flat angles C4'-P-C4' energy: -149.474 flat angles P-C4'-P energy: -104.119 tors. eta vs tors. theta energy: -208.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2557.014267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.014267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.014267 (E_RNA) where: Base-Base interactions energy: -1840.613 where: short stacking energy: -711.786 Base-Backbone interact. energy: -1.337 local terms energy: -715.065079 where: bonds (distance) C4'-P energy: -121.000 bonds (distance) P-C4' energy: -125.250 flat angles C4'-P-C4' energy: -151.638 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -219.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2504.694212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.694212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.694212 (E_RNA) where: Base-Base interactions energy: -1832.379 where: short stacking energy: -689.098 Base-Backbone interact. energy: 1.630 local terms energy: -673.945416 where: bonds (distance) C4'-P energy: -122.954 bonds (distance) P-C4' energy: -120.595 flat angles C4'-P-C4' energy: -137.991 flat angles P-C4'-P energy: -92.280 tors. eta vs tors. theta energy: -200.125 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: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2417.782258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.782258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.782258 (E_RNA) where: Base-Base interactions energy: -1763.872 where: short stacking energy: -695.065 Base-Backbone interact. energy: 1.535 local terms energy: -655.445185 where: bonds (distance) C4'-P energy: -110.051 bonds (distance) P-C4' energy: -100.224 flat angles C4'-P-C4' energy: -147.779 flat angles P-C4'-P energy: -94.363 tors. eta vs tors. theta energy: -203.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2424.824000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.824000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.824000 (E_RNA) where: Base-Base interactions energy: -1763.118 where: short stacking energy: -696.559 Base-Backbone interact. energy: 0.828 local terms energy: -662.534527 where: bonds (distance) C4'-P energy: -114.997 bonds (distance) P-C4' energy: -117.354 flat angles C4'-P-C4' energy: -130.621 flat angles P-C4'-P energy: -88.737 tors. eta vs tors. theta energy: -210.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2319.512924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.512924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.512924 (E_RNA) where: Base-Base interactions energy: -1707.896 where: short stacking energy: -660.209 Base-Backbone interact. energy: 0.446 local terms energy: -612.063157 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -95.373 flat angles C4'-P-C4' energy: -127.208 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -188.285 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: 7 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2258.027441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.027441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.027441 (E_RNA) where: Base-Base interactions energy: -1664.540 where: short stacking energy: -655.188 Base-Backbone interact. energy: -1.844 local terms energy: -591.643153 where: bonds (distance) C4'-P energy: -90.270 bonds (distance) P-C4' energy: -111.406 flat angles C4'-P-C4' energy: -120.644 flat angles P-C4'-P energy: -77.590 tors. eta vs tors. theta energy: -191.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -2223.335874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.335874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.335874 (E_RNA) where: Base-Base interactions energy: -1622.359 where: short stacking energy: -637.144 Base-Backbone interact. energy: -1.134 local terms energy: -599.842501 where: bonds (distance) C4'-P energy: -88.677 bonds (distance) P-C4' energy: -95.875 flat angles C4'-P-C4' energy: -139.170 flat angles P-C4'-P energy: -98.699 tors. eta vs tors. theta energy: -177.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -2095.052409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.052409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.052409 (E_RNA) where: Base-Base interactions energy: -1509.457 where: short stacking energy: -593.509 Base-Backbone interact. energy: -0.690 local terms energy: -584.905302 where: bonds (distance) C4'-P energy: -96.610 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -132.617 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -175.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1723.544650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.544650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.544650 (E_RNA) where: Base-Base interactions energy: -1218.901 where: short stacking energy: -475.084 Base-Backbone interact. energy: -2.333 local terms energy: -502.310583 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -91.504 flat angles C4'-P-C4' energy: -128.025 flat angles P-C4'-P energy: -77.615 tors. eta vs tors. theta energy: -117.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2628.040268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.040268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.040268 (E_RNA) where: Base-Base interactions energy: -1918.387 where: short stacking energy: -741.720 Base-Backbone interact. energy: -1.172 local terms energy: -708.481762 where: bonds (distance) C4'-P energy: -119.577 bonds (distance) P-C4' energy: -130.530 flat angles C4'-P-C4' energy: -149.868 flat angles P-C4'-P energy: -101.615 tors. eta vs tors. theta energy: -206.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2545.760953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.760953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.760953 (E_RNA) where: Base-Base interactions energy: -1828.331 where: short stacking energy: -714.496 Base-Backbone interact. energy: -1.076 local terms energy: -716.354206 where: bonds (distance) C4'-P energy: -126.295 bonds (distance) P-C4' energy: -121.277 flat angles C4'-P-C4' energy: -153.732 flat angles P-C4'-P energy: -94.126 tors. eta vs tors. theta energy: -220.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2497.131960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.131960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.131960 (E_RNA) where: Base-Base interactions energy: -1804.245 where: short stacking energy: -700.644 Base-Backbone interact. energy: -0.888 local terms energy: -691.999227 where: bonds (distance) C4'-P energy: -125.383 bonds (distance) P-C4' energy: -119.892 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -95.247 tors. eta vs tors. theta energy: -211.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2456.024680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.024680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.024680 (E_RNA) where: Base-Base interactions energy: -1772.898 where: short stacking energy: -707.718 Base-Backbone interact. energy: -1.491 local terms energy: -681.635568 where: bonds (distance) C4'-P energy: -120.511 bonds (distance) P-C4' energy: -120.272 flat angles C4'-P-C4' energy: -148.052 flat angles P-C4'-P energy: -87.730 tors. eta vs tors. theta energy: -205.070 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: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2402.695508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.695508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.695508 (E_RNA) where: Base-Base interactions energy: -1758.812 where: short stacking energy: -701.412 Base-Backbone interact. energy: -2.271 local terms energy: -641.612450 where: bonds (distance) C4'-P energy: -102.426 bonds (distance) P-C4' energy: -113.630 flat angles C4'-P-C4' energy: -128.809 flat angles P-C4'-P energy: -95.428 tors. eta vs tors. theta energy: -201.320 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: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2345.287011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.287011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.287011 (E_RNA) where: Base-Base interactions energy: -1717.631 where: short stacking energy: -675.957 Base-Backbone interact. energy: -0.712 local terms energy: -626.943049 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -119.870 flat angles C4'-P-C4' energy: -133.615 flat angles P-C4'-P energy: -68.676 tors. eta vs tors. theta energy: -192.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2248.947486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.947486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.947486 (E_RNA) where: Base-Base interactions energy: -1630.175 where: short stacking energy: -627.059 Base-Backbone interact. energy: -1.022 local terms energy: -617.750132 where: bonds (distance) C4'-P energy: -98.577 bonds (distance) P-C4' energy: -107.427 flat angles C4'-P-C4' energy: -133.777 flat angles P-C4'-P energy: -91.961 tors. eta vs tors. theta energy: -186.008 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: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -2179.255082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.255082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.255082 (E_RNA) where: Base-Base interactions energy: -1577.476 where: short stacking energy: -604.479 Base-Backbone interact. energy: -1.025 local terms energy: -600.753995 where: bonds (distance) C4'-P energy: -103.498 bonds (distance) P-C4' energy: -94.280 flat angles C4'-P-C4' energy: -135.315 flat angles P-C4'-P energy: -92.512 tors. eta vs tors. theta energy: -175.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -2116.981585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.981585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.981585 (E_RNA) where: Base-Base interactions energy: -1556.132 where: short stacking energy: -592.336 Base-Backbone interact. energy: -1.407 local terms energy: -559.442453 where: bonds (distance) C4'-P energy: -98.084 bonds (distance) P-C4' energy: -100.599 flat angles C4'-P-C4' energy: -104.088 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -174.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1818.315328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.315328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.315328 (E_RNA) where: Base-Base interactions energy: -1319.695 where: short stacking energy: -523.500 Base-Backbone interact. energy: 1.250 local terms energy: -499.870279 where: bonds (distance) C4'-P energy: -96.766 bonds (distance) P-C4' energy: -87.328 flat angles C4'-P-C4' energy: -110.172 flat angles P-C4'-P energy: -64.545 tors. eta vs tors. theta energy: -141.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2605.215475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.215475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.215475 (E_RNA) where: Base-Base interactions energy: -1921.624 where: short stacking energy: -726.271 Base-Backbone interact. energy: -1.230 local terms energy: -682.361410 where: bonds (distance) C4'-P energy: -124.273 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -140.263 flat angles P-C4'-P energy: -98.152 tors. eta vs tors. theta energy: -199.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2559.150135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.150135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.150135 (E_RNA) where: Base-Base interactions energy: -1866.929 where: short stacking energy: -744.412 Base-Backbone interact. energy: -1.274 local terms energy: -690.947158 where: bonds (distance) C4'-P energy: -122.125 bonds (distance) P-C4' energy: -109.939 flat angles C4'-P-C4' energy: -148.631 flat angles P-C4'-P energy: -86.120 tors. eta vs tors. theta energy: -224.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2527.046624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.046624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.046624 (E_RNA) where: Base-Base interactions energy: -1858.872 where: short stacking energy: -707.060 Base-Backbone interact. energy: 0.090 local terms energy: -668.264807 where: bonds (distance) C4'-P energy: -104.186 bonds (distance) P-C4' energy: -119.155 flat angles C4'-P-C4' energy: -151.447 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: -198.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2449.864568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.864568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.864568 (E_RNA) where: Base-Base interactions energy: -1784.758 where: short stacking energy: -687.261 Base-Backbone interact. energy: 0.452 local terms energy: -665.558407 where: bonds (distance) C4'-P energy: -110.589 bonds (distance) P-C4' energy: -111.020 flat angles C4'-P-C4' energy: -146.490 flat angles P-C4'-P energy: -96.216 tors. eta vs tors. theta energy: -201.244 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: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2414.887003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.887003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.887003 (E_RNA) where: Base-Base interactions energy: -1760.556 where: short stacking energy: -673.262 Base-Backbone interact. energy: -1.053 local terms energy: -653.277165 where: bonds (distance) C4'-P energy: -109.197 bonds (distance) P-C4' energy: -112.382 flat angles C4'-P-C4' energy: -137.778 flat angles P-C4'-P energy: -99.133 tors. eta vs tors. theta energy: -194.787 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: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2318.738766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.738766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.738766 (E_RNA) where: Base-Base interactions energy: -1682.994 where: short stacking energy: -659.706 Base-Backbone interact. energy: 1.331 local terms energy: -637.075356 where: bonds (distance) C4'-P energy: -105.589 bonds (distance) P-C4' energy: -109.760 flat angles C4'-P-C4' energy: -135.253 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -191.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2304.864209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.864209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.864209 (E_RNA) where: Base-Base interactions energy: -1667.184 where: short stacking energy: -641.713 Base-Backbone interact. energy: 0.062 local terms energy: -637.741576 where: bonds (distance) C4'-P energy: -111.408 bonds (distance) P-C4' energy: -108.922 flat angles C4'-P-C4' energy: -131.597 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -191.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -2151.276784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.276784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.276784 (E_RNA) where: Base-Base interactions energy: -1619.818 where: short stacking energy: -612.178 Base-Backbone interact. energy: -0.781 local terms energy: -530.677014 where: bonds (distance) C4'-P energy: -91.826 bonds (distance) P-C4' energy: -91.715 flat angles C4'-P-C4' energy: -117.297 flat angles P-C4'-P energy: -54.546 tors. eta vs tors. theta energy: -175.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -2158.456218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.456218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.456218 (E_RNA) where: Base-Base interactions energy: -1566.111 where: short stacking energy: -605.605 Base-Backbone interact. energy: -1.524 local terms energy: -590.821340 where: bonds (distance) C4'-P energy: -91.740 bonds (distance) P-C4' energy: -91.707 flat angles C4'-P-C4' energy: -125.503 flat angles P-C4'-P energy: -88.111 tors. eta vs tors. theta energy: -193.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1906.555500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.555500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.555500 (E_RNA) where: Base-Base interactions energy: -1375.233 where: short stacking energy: -526.670 Base-Backbone interact. energy: -2.689 local terms energy: -528.633655 where: bonds (distance) C4'-P energy: -100.675 bonds (distance) P-C4' energy: -79.691 flat angles C4'-P-C4' energy: -109.763 flat angles P-C4'-P energy: -79.217 tors. eta vs tors. theta energy: -159.287 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: 9 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2617.637556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.637556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.637556 (E_RNA) where: Base-Base interactions energy: -1900.813 where: short stacking energy: -749.256 Base-Backbone interact. energy: -1.753 local terms energy: -715.071349 where: bonds (distance) C4'-P energy: -131.720 bonds (distance) P-C4' energy: -126.965 flat angles C4'-P-C4' energy: -147.433 flat angles P-C4'-P energy: -98.928 tors. eta vs tors. theta energy: -210.025 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: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2571.988074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.988074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.988074 (E_RNA) where: Base-Base interactions energy: -1840.850 where: short stacking energy: -734.477 Base-Backbone interact. energy: -1.222 local terms energy: -729.915922 where: bonds (distance) C4'-P energy: -131.429 bonds (distance) P-C4' energy: -121.851 flat angles C4'-P-C4' energy: -148.021 flat angles P-C4'-P energy: -104.603 tors. eta vs tors. theta energy: -224.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2509.632874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.632874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.632874 (E_RNA) where: Base-Base interactions energy: -1837.015 where: short stacking energy: -700.651 Base-Backbone interact. energy: -1.719 local terms energy: -670.898932 where: bonds (distance) C4'-P energy: -120.139 bonds (distance) P-C4' energy: -115.299 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -201.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2481.131163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.131163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.131163 (E_RNA) where: Base-Base interactions energy: -1818.222 where: short stacking energy: -704.432 Base-Backbone interact. energy: 2.491 local terms energy: -665.399633 where: bonds (distance) C4'-P energy: -119.775 bonds (distance) P-C4' energy: -105.312 flat angles C4'-P-C4' energy: -142.581 flat angles P-C4'-P energy: -90.929 tors. eta vs tors. theta energy: -206.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2434.440398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.440398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.440398 (E_RNA) where: Base-Base interactions energy: -1797.596 where: short stacking energy: -681.166 Base-Backbone interact. energy: 6.247 local terms energy: -643.090788 where: bonds (distance) C4'-P energy: -106.500 bonds (distance) P-C4' energy: -113.295 flat angles C4'-P-C4' energy: -138.958 flat angles P-C4'-P energy: -96.418 tors. eta vs tors. theta energy: -187.919 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: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2345.677942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.677942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.677942 (E_RNA) where: Base-Base interactions energy: -1739.601 where: short stacking energy: -663.928 Base-Backbone interact. energy: -1.070 local terms energy: -605.006247 where: bonds (distance) C4'-P energy: -98.195 bonds (distance) P-C4' energy: -111.222 flat angles C4'-P-C4' energy: -139.525 flat angles P-C4'-P energy: -62.377 tors. eta vs tors. theta energy: -193.688 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: 201 Temperature: 1.200000 Total energy: -2277.847916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.847916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.847916 (E_RNA) where: Base-Base interactions energy: -1670.887 where: short stacking energy: -643.000 Base-Backbone interact. energy: -0.584 local terms energy: -606.376706 where: bonds (distance) C4'-P energy: -111.324 bonds (distance) P-C4' energy: -110.353 flat angles C4'-P-C4' energy: -121.452 flat angles P-C4'-P energy: -78.478 tors. eta vs tors. theta energy: -184.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -2160.620327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.620327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.620327 (E_RNA) where: Base-Base interactions energy: -1566.484 where: short stacking energy: -585.351 Base-Backbone interact. energy: -2.817 local terms energy: -591.319276 where: bonds (distance) C4'-P energy: -95.640 bonds (distance) P-C4' energy: -104.475 flat angles C4'-P-C4' energy: -132.657 flat angles P-C4'-P energy: -81.513 tors. eta vs tors. theta energy: -177.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -2178.888291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.888291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.888291 (E_RNA) where: Base-Base interactions energy: -1592.557 where: short stacking energy: -624.659 Base-Backbone interact. energy: 0.001 local terms energy: -586.331726 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -91.878 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -81.481 tors. eta vs tors. theta energy: -189.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1833.388914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.388914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.388914 (E_RNA) where: Base-Base interactions energy: -1309.715 where: short stacking energy: -519.565 Base-Backbone interact. energy: -0.242 local terms energy: -523.431504 where: bonds (distance) C4'-P energy: -87.720 bonds (distance) P-C4' energy: -90.540 flat angles C4'-P-C4' energy: -126.984 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -145.175 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: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2610.105156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.105156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.105156 (E_RNA) where: Base-Base interactions energy: -1887.872 where: short stacking energy: -740.263 Base-Backbone interact. energy: -1.120 local terms energy: -721.113111 where: bonds (distance) C4'-P energy: -122.649 bonds (distance) P-C4' energy: -123.975 flat angles C4'-P-C4' energy: -155.106 flat angles P-C4'-P energy: -102.998 tors. eta vs tors. theta energy: -216.385 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: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2608.727774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.727774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.727774 (E_RNA) where: Base-Base interactions energy: -1900.901 where: short stacking energy: -740.351 Base-Backbone interact. energy: 0.234 local terms energy: -708.060185 where: bonds (distance) C4'-P energy: -117.563 bonds (distance) P-C4' energy: -121.079 flat angles C4'-P-C4' energy: -152.924 flat angles P-C4'-P energy: -107.585 tors. eta vs tors. theta energy: -208.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2517.141684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.141684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.141684 (E_RNA) where: Base-Base interactions energy: -1816.873 where: short stacking energy: -737.880 Base-Backbone interact. energy: 1.012 local terms energy: -701.281460 where: bonds (distance) C4'-P energy: -114.693 bonds (distance) P-C4' energy: -128.073 flat angles C4'-P-C4' energy: -147.689 flat angles P-C4'-P energy: -98.284 tors. eta vs tors. theta energy: -212.542 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: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2493.503015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.503015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.503015 (E_RNA) where: Base-Base interactions energy: -1820.860 where: short stacking energy: -698.005 Base-Backbone interact. energy: 1.716 local terms energy: -674.358819 where: bonds (distance) C4'-P energy: -113.889 bonds (distance) P-C4' energy: -118.020 flat angles C4'-P-C4' energy: -138.127 flat angles P-C4'-P energy: -99.201 tors. eta vs tors. theta energy: -205.123 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: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2464.685242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.685242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.685242 (E_RNA) where: Base-Base interactions energy: -1808.842 where: short stacking energy: -693.001 Base-Backbone interact. energy: -1.240 local terms energy: -654.602457 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -115.924 flat angles C4'-P-C4' energy: -133.036 flat angles P-C4'-P energy: -96.803 tors. eta vs tors. theta energy: -196.819 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: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2341.450783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.450783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.450783 (E_RNA) where: Base-Base interactions energy: -1722.143 where: short stacking energy: -657.351 Base-Backbone interact. energy: -2.071 local terms energy: -617.237536 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -99.919 flat angles C4'-P-C4' energy: -129.307 flat angles P-C4'-P energy: -96.172 tors. eta vs tors. theta energy: -191.192 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: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2238.315164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.315164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.315164 (E_RNA) where: Base-Base interactions energy: -1650.178 where: short stacking energy: -637.340 Base-Backbone interact. energy: -0.219 local terms energy: -587.917672 where: bonds (distance) C4'-P energy: -102.547 bonds (distance) P-C4' energy: -102.732 flat angles C4'-P-C4' energy: -133.037 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -182.784 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -2156.872556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.872556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.872556 (E_RNA) where: Base-Base interactions energy: -1555.026 where: short stacking energy: -606.648 Base-Backbone interact. energy: -1.050 local terms energy: -600.796513 where: bonds (distance) C4'-P energy: -102.902 bonds (distance) P-C4' energy: -108.375 flat angles C4'-P-C4' energy: -131.477 flat angles P-C4'-P energy: -85.571 tors. eta vs tors. theta energy: -172.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -2163.180313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.180313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.180313 (E_RNA) where: Base-Base interactions energy: -1575.498 where: short stacking energy: -610.287 Base-Backbone interact. energy: -0.258 local terms energy: -587.424158 where: bonds (distance) C4'-P energy: -87.892 bonds (distance) P-C4' energy: -109.095 flat angles C4'-P-C4' energy: -133.486 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -184.497 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: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1826.330056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.330056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.330056 (E_RNA) where: Base-Base interactions energy: -1341.577 where: short stacking energy: -517.694 Base-Backbone interact. energy: -0.096 local terms energy: -484.657013 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -106.530 flat angles P-C4'-P energy: -64.692 tors. eta vs tors. theta energy: -151.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2634.838007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.838007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.838007 (E_RNA) where: Base-Base interactions energy: -1906.074 where: short stacking energy: -763.017 Base-Backbone interact. energy: 0.254 local terms energy: -729.017903 where: bonds (distance) C4'-P energy: -131.656 bonds (distance) P-C4' energy: -127.324 flat angles C4'-P-C4' energy: -147.542 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -225.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2543.614345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.614345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.614345 (E_RNA) where: Base-Base interactions energy: -1827.756 where: short stacking energy: -724.565 Base-Backbone interact. energy: -3.523 local terms energy: -712.335168 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -118.179 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -103.395 tors. eta vs tors. theta energy: -210.828 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: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2580.142992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.142992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.142992 (E_RNA) where: Base-Base interactions energy: -1891.625 where: short stacking energy: -713.152 Base-Backbone interact. energy: -1.758 local terms energy: -686.760362 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -128.919 flat angles C4'-P-C4' energy: -140.548 flat angles P-C4'-P energy: -89.538 tors. eta vs tors. theta energy: -210.025 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: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2490.064872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.064872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.064872 (E_RNA) where: Base-Base interactions energy: -1832.400 where: short stacking energy: -688.166 Base-Backbone interact. energy: 0.169 local terms energy: -657.833692 where: bonds (distance) C4'-P energy: -105.724 bonds (distance) P-C4' energy: -125.568 flat angles C4'-P-C4' energy: -129.457 flat angles P-C4'-P energy: -91.215 tors. eta vs tors. theta energy: -205.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2454.563956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.563956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.563956 (E_RNA) where: Base-Base interactions energy: -1811.694 where: short stacking energy: -682.675 Base-Backbone interact. energy: -1.133 local terms energy: -641.737085 where: bonds (distance) C4'-P energy: -96.586 bonds (distance) P-C4' energy: -124.207 flat angles C4'-P-C4' energy: -140.262 flat angles P-C4'-P energy: -85.164 tors. eta vs tors. theta energy: -195.517 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: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2308.891239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.891239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.891239 (E_RNA) where: Base-Base interactions energy: -1682.433 where: short stacking energy: -661.040 Base-Backbone interact. energy: -0.041 local terms energy: -626.416853 where: bonds (distance) C4'-P energy: -105.939 bonds (distance) P-C4' energy: -118.562 flat angles C4'-P-C4' energy: -130.340 flat angles P-C4'-P energy: -87.549 tors. eta vs tors. theta energy: -184.027 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: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2312.743530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.743530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.743530 (E_RNA) where: Base-Base interactions energy: -1677.826 where: short stacking energy: -671.410 Base-Backbone interact. energy: -0.119 local terms energy: -634.798500 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -98.700 flat angles C4'-P-C4' energy: -140.926 flat angles P-C4'-P energy: -82.819 tors. eta vs tors. theta energy: -202.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -2215.121615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.121615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.121615 (E_RNA) where: Base-Base interactions energy: -1613.518 where: short stacking energy: -633.268 Base-Backbone interact. energy: -0.822 local terms energy: -600.781799 where: bonds (distance) C4'-P energy: -101.145 bonds (distance) P-C4' energy: -106.433 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -73.666 tors. eta vs tors. theta energy: -199.582 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: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -2036.732711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.732711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.732711 (E_RNA) where: Base-Base interactions energy: -1488.378 where: short stacking energy: -540.531 Base-Backbone interact. energy: -1.374 local terms energy: -546.980153 where: bonds (distance) C4'-P energy: -100.476 bonds (distance) P-C4' energy: -87.903 flat angles C4'-P-C4' energy: -119.177 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -160.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1803.771358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.771358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.771358 (E_RNA) where: Base-Base interactions energy: -1298.483 where: short stacking energy: -501.587 Base-Backbone interact. energy: 0.089 local terms energy: -505.377438 where: bonds (distance) C4'-P energy: -63.608 bonds (distance) P-C4' energy: -110.890 flat angles C4'-P-C4' energy: -105.466 flat angles P-C4'-P energy: -101.151 tors. eta vs tors. theta energy: -124.263 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: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2601.578179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.578179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.578179 (E_RNA) where: Base-Base interactions energy: -1873.203 where: short stacking energy: -744.552 Base-Backbone interact. energy: -1.045 local terms energy: -727.330328 where: bonds (distance) C4'-P energy: -131.794 bonds (distance) P-C4' energy: -125.552 flat angles C4'-P-C4' energy: -147.235 flat angles P-C4'-P energy: -105.156 tors. eta vs tors. theta energy: -217.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2525.989468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.989468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.989468 (E_RNA) where: Base-Base interactions energy: -1821.095 where: short stacking energy: -714.899 Base-Backbone interact. energy: -1.705 local terms energy: -703.189541 where: bonds (distance) C4'-P energy: -103.315 bonds (distance) P-C4' energy: -134.487 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -106.615 tors. eta vs tors. theta energy: -211.372 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: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2546.139119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.139119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.139119 (E_RNA) where: Base-Base interactions energy: -1862.563 where: short stacking energy: -719.280 Base-Backbone interact. energy: -0.955 local terms energy: -682.620887 where: bonds (distance) C4'-P energy: -122.720 bonds (distance) P-C4' energy: -116.267 flat angles C4'-P-C4' energy: -147.362 flat angles P-C4'-P energy: -95.690 tors. eta vs tors. theta energy: -200.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2477.080471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.080471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.080471 (E_RNA) where: Base-Base interactions energy: -1794.256 where: short stacking energy: -690.649 Base-Backbone interact. energy: -1.008 local terms energy: -681.816660 where: bonds (distance) C4'-P energy: -119.808 bonds (distance) P-C4' energy: -123.210 flat angles C4'-P-C4' energy: -142.829 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -198.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2485.774316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.774316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.774316 (E_RNA) where: Base-Base interactions energy: -1812.098 where: short stacking energy: -715.668 Base-Backbone interact. energy: -0.612 local terms energy: -673.064249 where: bonds (distance) C4'-P energy: -116.882 bonds (distance) P-C4' energy: -103.752 flat angles C4'-P-C4' energy: -142.084 flat angles P-C4'-P energy: -99.332 tors. eta vs tors. theta energy: -211.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2318.723527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.723527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.723527 (E_RNA) where: Base-Base interactions energy: -1688.134 where: short stacking energy: -644.806 Base-Backbone interact. energy: -2.858 local terms energy: -627.730688 where: bonds (distance) C4'-P energy: -104.062 bonds (distance) P-C4' energy: -109.373 flat angles C4'-P-C4' energy: -134.820 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -178.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2262.298637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.298637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.298637 (E_RNA) where: Base-Base interactions energy: -1658.788 where: short stacking energy: -640.180 Base-Backbone interact. energy: 0.525 local terms energy: -604.035357 where: bonds (distance) C4'-P energy: -99.436 bonds (distance) P-C4' energy: -103.243 flat angles C4'-P-C4' energy: -128.154 flat angles P-C4'-P energy: -85.654 tors. eta vs tors. theta energy: -187.548 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: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -2224.820073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.820073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.820073 (E_RNA) where: Base-Base interactions energy: -1633.117 where: short stacking energy: -618.318 Base-Backbone interact. energy: -1.410 local terms energy: -590.293885 where: bonds (distance) C4'-P energy: -110.884 bonds (distance) P-C4' energy: -100.516 flat angles C4'-P-C4' energy: -116.516 flat angles P-C4'-P energy: -71.773 tors. eta vs tors. theta energy: -190.605 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: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -2042.163201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.163201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.163201 (E_RNA) where: Base-Base interactions energy: -1483.065 where: short stacking energy: -566.606 Base-Backbone interact. energy: -1.312 local terms energy: -557.785815 where: bonds (distance) C4'-P energy: -75.176 bonds (distance) P-C4' energy: -111.828 flat angles C4'-P-C4' energy: -123.513 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -171.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1838.843539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.843539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.843539 (E_RNA) where: Base-Base interactions energy: -1308.303 where: short stacking energy: -511.497 Base-Backbone interact. energy: -1.549 local terms energy: -528.991244 where: bonds (distance) C4'-P energy: -92.580 bonds (distance) P-C4' energy: -96.167 flat angles C4'-P-C4' energy: -109.952 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -143.078 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: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2611.064587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.064587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.064587 (E_RNA) where: Base-Base interactions energy: -1883.416 where: short stacking energy: -748.959 Base-Backbone interact. energy: 0.181 local terms energy: -727.829498 where: bonds (distance) C4'-P energy: -121.476 bonds (distance) P-C4' energy: -133.365 flat angles C4'-P-C4' energy: -141.321 flat angles P-C4'-P energy: -104.528 tors. eta vs tors. theta energy: -227.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2601.070514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.070514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.070514 (E_RNA) where: Base-Base interactions energy: -1919.926 where: short stacking energy: -728.606 Base-Backbone interact. energy: 1.277 local terms energy: -682.421507 where: bonds (distance) C4'-P energy: -112.132 bonds (distance) P-C4' energy: -115.061 flat angles C4'-P-C4' energy: -139.795 flat angles P-C4'-P energy: -105.814 tors. eta vs tors. theta energy: -209.618 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: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2487.147522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.147522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.147522 (E_RNA) where: Base-Base interactions energy: -1813.846 where: short stacking energy: -716.146 Base-Backbone interact. energy: 1.226 local terms energy: -674.527200 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -130.811 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -91.976 tors. eta vs tors. theta energy: -203.626 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: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2533.013391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.013391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.013391 (E_RNA) where: Base-Base interactions energy: -1865.074 where: short stacking energy: -698.694 Base-Backbone interact. energy: -1.235 local terms energy: -666.704364 where: bonds (distance) C4'-P energy: -112.789 bonds (distance) P-C4' energy: -103.209 flat angles C4'-P-C4' energy: -139.985 flat angles P-C4'-P energy: -102.965 tors. eta vs tors. theta energy: -207.756 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: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2427.051271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.051271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.051271 (E_RNA) where: Base-Base interactions energy: -1782.844 where: short stacking energy: -687.783 Base-Backbone interact. energy: -2.681 local terms energy: -641.525932 where: bonds (distance) C4'-P energy: -115.419 bonds (distance) P-C4' energy: -105.775 flat angles C4'-P-C4' energy: -129.364 flat angles P-C4'-P energy: -90.088 tors. eta vs tors. theta energy: -200.880 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: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2334.964347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.964347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.964347 (E_RNA) where: Base-Base interactions energy: -1696.672 where: short stacking energy: -675.427 Base-Backbone interact. energy: 1.513 local terms energy: -639.805669 where: bonds (distance) C4'-P energy: -111.507 bonds (distance) P-C4' energy: -106.463 flat angles C4'-P-C4' energy: -130.230 flat angles P-C4'-P energy: -93.479 tors. eta vs tors. theta energy: -198.127 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: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2265.540890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.540890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.540890 (E_RNA) where: Base-Base interactions energy: -1661.113 where: short stacking energy: -650.151 Base-Backbone interact. energy: -1.522 local terms energy: -602.905239 where: bonds (distance) C4'-P energy: -79.477 bonds (distance) P-C4' energy: -112.216 flat angles C4'-P-C4' energy: -133.240 flat angles P-C4'-P energy: -91.143 tors. eta vs tors. theta energy: -186.829 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: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -2217.530189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.530189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.530189 (E_RNA) where: Base-Base interactions energy: -1626.374 where: short stacking energy: -636.386 Base-Backbone interact. energy: 0.269 local terms energy: -591.425242 where: bonds (distance) C4'-P energy: -106.246 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -112.005 flat angles P-C4'-P energy: -92.924 tors. eta vs tors. theta energy: -181.700 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: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -2091.444805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.444805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.444805 (E_RNA) where: Base-Base interactions energy: -1531.851 where: short stacking energy: -589.949 Base-Backbone interact. energy: -2.017 local terms energy: -557.576682 where: bonds (distance) C4'-P energy: -90.752 bonds (distance) P-C4' energy: -105.097 flat angles C4'-P-C4' energy: -121.947 flat angles P-C4'-P energy: -86.208 tors. eta vs tors. theta energy: -153.572 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: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1735.826332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.826332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.826332 (E_RNA) where: Base-Base interactions energy: -1214.333 where: short stacking energy: -482.125 Base-Backbone interact. energy: 4.937 local terms energy: -526.429572 where: bonds (distance) C4'-P energy: -90.921 bonds (distance) P-C4' energy: -106.697 flat angles C4'-P-C4' energy: -125.325 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -131.926 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: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2599.717108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.717108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.717108 (E_RNA) where: Base-Base interactions energy: -1903.155 where: short stacking energy: -726.226 Base-Backbone interact. energy: -0.563 local terms energy: -695.999578 where: bonds (distance) C4'-P energy: -117.247 bonds (distance) P-C4' energy: -120.567 flat angles C4'-P-C4' energy: -152.332 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -202.661 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: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2570.600350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.600350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.600350 (E_RNA) where: Base-Base interactions energy: -1856.378 where: short stacking energy: -735.166 Base-Backbone interact. energy: -1.367 local terms energy: -712.855407 where: bonds (distance) C4'-P energy: -109.778 bonds (distance) P-C4' energy: -129.772 flat angles C4'-P-C4' energy: -148.216 flat angles P-C4'-P energy: -110.628 tors. eta vs tors. theta energy: -214.462 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: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2586.046121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.046121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.046121 (E_RNA) where: Base-Base interactions energy: -1907.628 where: short stacking energy: -718.876 Base-Backbone interact. energy: -0.666 local terms energy: -677.752302 where: bonds (distance) C4'-P energy: -103.045 bonds (distance) P-C4' energy: -121.742 flat angles C4'-P-C4' energy: -146.617 flat angles P-C4'-P energy: -96.774 tors. eta vs tors. theta energy: -209.575 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: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2438.240960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.240960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.240960 (E_RNA) where: Base-Base interactions energy: -1774.858 where: short stacking energy: -706.408 Base-Backbone interact. energy: -1.023 local terms energy: -662.359950 where: bonds (distance) C4'-P energy: -109.140 bonds (distance) P-C4' energy: -106.959 flat angles C4'-P-C4' energy: -142.614 flat angles P-C4'-P energy: -94.758 tors. eta vs tors. theta energy: -208.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2425.752528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.752528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.752528 (E_RNA) where: Base-Base interactions energy: -1769.620 where: short stacking energy: -691.735 Base-Backbone interact. energy: -1.283 local terms energy: -654.849376 where: bonds (distance) C4'-P energy: -105.462 bonds (distance) P-C4' energy: -111.685 flat angles C4'-P-C4' energy: -134.043 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: -209.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2352.410571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.410571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.410571 (E_RNA) where: Base-Base interactions energy: -1714.799 where: short stacking energy: -677.261 Base-Backbone interact. energy: -0.229 local terms energy: -637.382630 where: bonds (distance) C4'-P energy: -105.163 bonds (distance) P-C4' energy: -101.734 flat angles C4'-P-C4' energy: -141.187 flat angles P-C4'-P energy: -90.152 tors. eta vs tors. theta energy: -199.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2266.817548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.817548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.817548 (E_RNA) where: Base-Base interactions energy: -1636.784 where: short stacking energy: -648.322 Base-Backbone interact. energy: 1.608 local terms energy: -631.641455 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -97.485 flat angles C4'-P-C4' energy: -136.556 flat angles P-C4'-P energy: -88.164 tors. eta vs tors. theta energy: -197.324 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: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -2163.902045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.902045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.902045 (E_RNA) where: Base-Base interactions energy: -1597.346 where: short stacking energy: -619.954 Base-Backbone interact. energy: -3.597 local terms energy: -562.959646 where: bonds (distance) C4'-P energy: -90.786 bonds (distance) P-C4' energy: -105.795 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -182.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -2046.713405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.713405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.713405 (E_RNA) where: Base-Base interactions energy: -1490.616 where: short stacking energy: -568.283 Base-Backbone interact. energy: 1.775 local terms energy: -557.872406 where: bonds (distance) C4'-P energy: -107.395 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -128.502 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -155.628 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: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1732.243006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.243006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.243006 (E_RNA) where: Base-Base interactions energy: -1242.063 where: short stacking energy: -477.554 Base-Backbone interact. energy: 3.840 local terms energy: -494.020001 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -94.740 flat angles C4'-P-C4' energy: -115.824 flat angles P-C4'-P energy: -74.770 tors. eta vs tors. theta energy: -126.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2633.635007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.635007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.635007 (E_RNA) where: Base-Base interactions energy: -1919.473 where: short stacking energy: -746.719 Base-Backbone interact. energy: -0.273 local terms energy: -713.889585 where: bonds (distance) C4'-P energy: -126.727 bonds (distance) P-C4' energy: -123.711 flat angles C4'-P-C4' energy: -149.654 flat angles P-C4'-P energy: -99.411 tors. eta vs tors. theta energy: -214.386 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: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2574.640059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.640059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.640059 (E_RNA) where: Base-Base interactions energy: -1873.682 where: short stacking energy: -717.231 Base-Backbone interact. energy: -0.727 local terms energy: -700.230724 where: bonds (distance) C4'-P energy: -109.458 bonds (distance) P-C4' energy: -120.807 flat angles C4'-P-C4' energy: -149.474 flat angles P-C4'-P energy: -109.910 tors. eta vs tors. theta energy: -210.581 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: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2519.878314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.878314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.878314 (E_RNA) where: Base-Base interactions energy: -1819.664 where: short stacking energy: -717.395 Base-Backbone interact. energy: 0.921 local terms energy: -701.134915 where: bonds (distance) C4'-P energy: -108.845 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -136.777 flat angles P-C4'-P energy: -104.571 tors. eta vs tors. theta energy: -219.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2469.897303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.897303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.897303 (E_RNA) where: Base-Base interactions energy: -1786.000 where: short stacking energy: -680.185 Base-Backbone interact. energy: -1.569 local terms energy: -682.328521 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -145.774 flat angles P-C4'-P energy: -93.771 tors. eta vs tors. theta energy: -203.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2415.560965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.560965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.560965 (E_RNA) where: Base-Base interactions energy: -1766.032 where: short stacking energy: -693.348 Base-Backbone interact. energy: 4.317 local terms energy: -653.845666 where: bonds (distance) C4'-P energy: -101.897 bonds (distance) P-C4' energy: -119.767 flat angles C4'-P-C4' energy: -129.710 flat angles P-C4'-P energy: -99.165 tors. eta vs tors. theta energy: -203.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2326.753099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.753099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.753099 (E_RNA) where: Base-Base interactions energy: -1687.523 where: short stacking energy: -668.402 Base-Backbone interact. energy: -2.256 local terms energy: -636.974165 where: bonds (distance) C4'-P energy: -108.550 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -132.419 flat angles P-C4'-P energy: -92.821 tors. eta vs tors. theta energy: -201.762 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: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2302.020629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.020629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.020629 (E_RNA) where: Base-Base interactions energy: -1687.036 where: short stacking energy: -672.095 Base-Backbone interact. energy: -1.573 local terms energy: -613.411805 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -103.753 flat angles C4'-P-C4' energy: -130.176 flat angles P-C4'-P energy: -79.837 tors. eta vs tors. theta energy: -198.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -2083.020396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.020396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.020396 (E_RNA) where: Base-Base interactions energy: -1509.558 where: short stacking energy: -586.933 Base-Backbone interact. energy: -0.060 local terms energy: -573.401690 where: bonds (distance) C4'-P energy: -99.915 bonds (distance) P-C4' energy: -102.305 flat angles C4'-P-C4' energy: -124.858 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -171.189 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: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -2090.307718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.307718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.307718 (E_RNA) where: Base-Base interactions energy: -1553.615 where: short stacking energy: -606.619 Base-Backbone interact. energy: -1.792 local terms energy: -534.901377 where: bonds (distance) C4'-P energy: -102.001 bonds (distance) P-C4' energy: -78.052 flat angles C4'-P-C4' energy: -119.370 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -172.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1761.843065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.843065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.843065 (E_RNA) where: Base-Base interactions energy: -1247.721 where: short stacking energy: -497.208 Base-Backbone interact. energy: -0.680 local terms energy: -513.442774 where: bonds (distance) C4'-P energy: -96.105 bonds (distance) P-C4' energy: -107.131 flat angles C4'-P-C4' energy: -109.300 flat angles P-C4'-P energy: -68.668 tors. eta vs tors. theta energy: -132.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2620.655357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.655357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.655357 (E_RNA) where: Base-Base interactions energy: -1893.466 where: short stacking energy: -742.102 Base-Backbone interact. energy: -0.435 local terms energy: -726.754491 where: bonds (distance) C4'-P energy: -117.314 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -154.295 flat angles P-C4'-P energy: -122.167 tors. eta vs tors. theta energy: -206.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2591.095313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.095313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.095313 (E_RNA) where: Base-Base interactions energy: -1896.876 where: short stacking energy: -723.776 Base-Backbone interact. energy: 0.093 local terms energy: -694.311943 where: bonds (distance) C4'-P energy: -105.372 bonds (distance) P-C4' energy: -126.382 flat angles C4'-P-C4' energy: -145.533 flat angles P-C4'-P energy: -104.243 tors. eta vs tors. theta energy: -212.783 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: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2509.126851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.126851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.126851 (E_RNA) where: Base-Base interactions energy: -1830.614 where: short stacking energy: -713.614 Base-Backbone interact. energy: 1.351 local terms energy: -679.863640 where: bonds (distance) C4'-P energy: -106.443 bonds (distance) P-C4' energy: -119.145 flat angles C4'-P-C4' energy: -141.819 flat angles P-C4'-P energy: -98.538 tors. eta vs tors. theta energy: -213.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2485.736514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.736514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.736514 (E_RNA) where: Base-Base interactions energy: -1797.608 where: short stacking energy: -707.395 Base-Backbone interact. energy: 9.660 local terms energy: -697.788387 where: bonds (distance) C4'-P energy: -119.211 bonds (distance) P-C4' energy: -123.983 flat angles C4'-P-C4' energy: -138.386 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -219.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2373.332330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.332330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.332330 (E_RNA) where: Base-Base interactions energy: -1720.849 where: short stacking energy: -656.647 Base-Backbone interact. energy: -1.205 local terms energy: -651.278929 where: bonds (distance) C4'-P energy: -119.587 bonds (distance) P-C4' energy: -117.027 flat angles C4'-P-C4' energy: -131.419 flat angles P-C4'-P energy: -92.302 tors. eta vs tors. theta energy: -190.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2396.536259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.536259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.536259 (E_RNA) where: Base-Base interactions energy: -1747.390 where: short stacking energy: -669.313 Base-Backbone interact. energy: 0.564 local terms energy: -649.711108 where: bonds (distance) C4'-P energy: -107.927 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -138.656 flat angles P-C4'-P energy: -93.190 tors. eta vs tors. theta energy: -195.772 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: 208 Temperature: 1.200000 Total energy: -2302.278692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.278692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.278692 (E_RNA) where: Base-Base interactions energy: -1657.905 where: short stacking energy: -650.004 Base-Backbone interact. energy: -2.803 local terms energy: -641.571002 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -94.383 flat angles C4'-P-C4' energy: -146.253 flat angles P-C4'-P energy: -83.776 tors. eta vs tors. theta energy: -199.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -2089.980090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.980090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.980090 (E_RNA) where: Base-Base interactions energy: -1529.167 where: short stacking energy: -590.192 Base-Backbone interact. energy: -0.176 local terms energy: -560.636367 where: bonds (distance) C4'-P energy: -93.043 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -129.021 flat angles P-C4'-P energy: -76.532 tors. eta vs tors. theta energy: -167.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -2091.931506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.931506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.931506 (E_RNA) where: Base-Base interactions energy: -1530.766 where: short stacking energy: -575.696 Base-Backbone interact. energy: 1.507 local terms energy: -562.672519 where: bonds (distance) C4'-P energy: -118.690 bonds (distance) P-C4' energy: -95.712 flat angles C4'-P-C4' energy: -129.026 flat angles P-C4'-P energy: -54.047 tors. eta vs tors. theta energy: -165.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1742.610621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.610621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.610621 (E_RNA) where: Base-Base interactions energy: -1253.964 where: short stacking energy: -477.919 Base-Backbone interact. energy: -4.311 local terms energy: -484.335451 where: bonds (distance) C4'-P energy: -63.621 bonds (distance) P-C4' energy: -104.162 flat angles C4'-P-C4' energy: -108.974 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -139.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2609.021627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.021627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.021627 (E_RNA) where: Base-Base interactions energy: -1915.488 where: short stacking energy: -730.394 Base-Backbone interact. energy: -0.064 local terms energy: -693.469702 where: bonds (distance) C4'-P energy: -116.116 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -150.114 flat angles P-C4'-P energy: -105.719 tors. eta vs tors. theta energy: -205.484 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: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2595.003539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.003539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.003539 (E_RNA) where: Base-Base interactions energy: -1899.945 where: short stacking energy: -734.155 Base-Backbone interact. energy: -1.627 local terms energy: -693.432384 where: bonds (distance) C4'-P energy: -116.654 bonds (distance) P-C4' energy: -119.253 flat angles C4'-P-C4' energy: -143.207 flat angles P-C4'-P energy: -101.731 tors. eta vs tors. theta energy: -212.588 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: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2539.429890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.429890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.429890 (E_RNA) where: Base-Base interactions energy: -1849.635 where: short stacking energy: -708.316 Base-Backbone interact. energy: -1.852 local terms energy: -687.942353 where: bonds (distance) C4'-P energy: -117.370 bonds (distance) P-C4' energy: -133.996 flat angles C4'-P-C4' energy: -134.000 flat angles P-C4'-P energy: -95.153 tors. eta vs tors. theta energy: -207.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2500.416527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.416527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.416527 (E_RNA) where: Base-Base interactions energy: -1813.373 where: short stacking energy: -710.937 Base-Backbone interact. energy: -1.242 local terms energy: -685.801846 where: bonds (distance) C4'-P energy: -115.348 bonds (distance) P-C4' energy: -113.606 flat angles C4'-P-C4' energy: -143.282 flat angles P-C4'-P energy: -103.865 tors. eta vs tors. theta energy: -209.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2376.265691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.265691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.265691 (E_RNA) where: Base-Base interactions energy: -1717.062 where: short stacking energy: -659.157 Base-Backbone interact. energy: -1.407 local terms energy: -657.796391 where: bonds (distance) C4'-P energy: -118.891 bonds (distance) P-C4' energy: -106.339 flat angles C4'-P-C4' energy: -138.459 flat angles P-C4'-P energy: -96.571 tors. eta vs tors. theta energy: -197.537 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: 209 Temperature: 1.150000 Total energy: -2362.676840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.676840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.676840 (E_RNA) where: Base-Base interactions energy: -1739.200 where: short stacking energy: -678.430 Base-Backbone interact. energy: -0.472 local terms energy: -623.005205 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -92.481 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -199.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2303.965807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.965807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.965807 (E_RNA) where: Base-Base interactions energy: -1710.857 where: short stacking energy: -670.029 Base-Backbone interact. energy: 0.961 local terms energy: -594.069897 where: bonds (distance) C4'-P energy: -85.580 bonds (distance) P-C4' energy: -97.058 flat angles C4'-P-C4' energy: -140.596 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -195.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -2131.420871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.420871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.420871 (E_RNA) where: Base-Base interactions energy: -1539.368 where: short stacking energy: -579.776 Base-Backbone interact. energy: 1.017 local terms energy: -593.069629 where: bonds (distance) C4'-P energy: -95.659 bonds (distance) P-C4' energy: -119.328 flat angles C4'-P-C4' energy: -128.671 flat angles P-C4'-P energy: -76.904 tors. eta vs tors. theta energy: -172.508 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: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -2043.461488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.461488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.461488 (E_RNA) where: Base-Base interactions energy: -1499.089 where: short stacking energy: -567.948 Base-Backbone interact. energy: -2.352 local terms energy: -542.020317 where: bonds (distance) C4'-P energy: -104.379 bonds (distance) P-C4' energy: -98.686 flat angles C4'-P-C4' energy: -114.192 flat angles P-C4'-P energy: -58.930 tors. eta vs tors. theta energy: -165.833 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: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1746.785862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.785862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.785862 (E_RNA) where: Base-Base interactions energy: -1219.544 where: short stacking energy: -484.455 Base-Backbone interact. energy: -1.580 local terms energy: -525.661365 where: bonds (distance) C4'-P energy: -115.152 bonds (distance) P-C4' energy: -96.977 flat angles C4'-P-C4' energy: -112.271 flat angles P-C4'-P energy: -75.735 tors. eta vs tors. theta energy: -125.525 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: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2634.129243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.129243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.129243 (E_RNA) where: Base-Base interactions energy: -1920.146 where: short stacking energy: -748.808 Base-Backbone interact. energy: -3.111 local terms energy: -710.872311 where: bonds (distance) C4'-P energy: -125.284 bonds (distance) P-C4' energy: -132.287 flat angles C4'-P-C4' energy: -142.455 flat angles P-C4'-P energy: -96.541 tors. eta vs tors. theta energy: -214.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2568.068624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.068624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.068624 (E_RNA) where: Base-Base interactions energy: -1883.267 where: short stacking energy: -729.182 Base-Backbone interact. energy: 5.386 local terms energy: -690.187503 where: bonds (distance) C4'-P energy: -109.864 bonds (distance) P-C4' energy: -121.982 flat angles C4'-P-C4' energy: -146.807 flat angles P-C4'-P energy: -99.460 tors. eta vs tors. theta energy: -212.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2546.413442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.413442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.413442 (E_RNA) where: Base-Base interactions energy: -1856.716 where: short stacking energy: -708.287 Base-Backbone interact. energy: -0.923 local terms energy: -688.774500 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -128.782 flat angles C4'-P-C4' energy: -143.773 flat angles P-C4'-P energy: -98.659 tors. eta vs tors. theta energy: -207.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2481.519508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.519508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.519508 (E_RNA) where: Base-Base interactions energy: -1802.503 where: short stacking energy: -709.469 Base-Backbone interact. energy: -0.157 local terms energy: -678.858966 where: bonds (distance) C4'-P energy: -103.155 bonds (distance) P-C4' energy: -125.860 flat angles C4'-P-C4' energy: -141.507 flat angles P-C4'-P energy: -92.964 tors. eta vs tors. theta energy: -215.373 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: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2412.910281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.910281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.910281 (E_RNA) where: Base-Base interactions energy: -1748.581 where: short stacking energy: -682.153 Base-Backbone interact. energy: -0.218 local terms energy: -664.112029 where: bonds (distance) C4'-P energy: -124.197 bonds (distance) P-C4' energy: -102.266 flat angles C4'-P-C4' energy: -141.900 flat angles P-C4'-P energy: -86.192 tors. eta vs tors. theta energy: -209.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2364.344579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.344579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.344579 (E_RNA) where: Base-Base interactions energy: -1720.207 where: short stacking energy: -684.679 Base-Backbone interact. energy: 0.570 local terms energy: -644.707628 where: bonds (distance) C4'-P energy: -118.559 bonds (distance) P-C4' energy: -96.540 flat angles C4'-P-C4' energy: -129.187 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -205.634 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: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2253.877821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.877821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.877821 (E_RNA) where: Base-Base interactions energy: -1651.141 where: short stacking energy: -620.754 Base-Backbone interact. energy: 5.953 local terms energy: -608.689742 where: bonds (distance) C4'-P energy: -96.502 bonds (distance) P-C4' energy: -114.459 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -185.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -2105.255536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.255536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.255536 (E_RNA) where: Base-Base interactions energy: -1515.397 where: short stacking energy: -569.932 Base-Backbone interact. energy: 1.467 local terms energy: -591.326032 where: bonds (distance) C4'-P energy: -116.198 bonds (distance) P-C4' energy: -106.781 flat angles C4'-P-C4' energy: -126.242 flat angles P-C4'-P energy: -77.633 tors. eta vs tors. theta energy: -164.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -2076.572679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.572679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.572679 (E_RNA) where: Base-Base interactions energy: -1530.398 where: short stacking energy: -596.281 Base-Backbone interact. energy: 1.209 local terms energy: -547.383360 where: bonds (distance) C4'-P energy: -80.786 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -131.293 flat angles P-C4'-P energy: -68.287 tors. eta vs tors. theta energy: -168.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1648.277627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.277627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.277627 (E_RNA) where: Base-Base interactions energy: -1147.432 where: short stacking energy: -461.416 Base-Backbone interact. energy: 3.561 local terms energy: -504.407276 where: bonds (distance) C4'-P energy: -103.451 bonds (distance) P-C4' energy: -111.537 flat angles C4'-P-C4' energy: -117.100 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -105.620 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: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2659.538520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.538520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.538520 (E_RNA) where: Base-Base interactions energy: -1944.570 where: short stacking energy: -756.398 Base-Backbone interact. energy: -0.871 local terms energy: -714.098097 where: bonds (distance) C4'-P energy: -117.174 bonds (distance) P-C4' energy: -119.770 flat angles C4'-P-C4' energy: -152.076 flat angles P-C4'-P energy: -101.809 tors. eta vs tors. theta energy: -223.269 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: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2569.039058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.039058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.039058 (E_RNA) where: Base-Base interactions energy: -1884.245 where: short stacking energy: -721.533 Base-Backbone interact. energy: -0.126 local terms energy: -684.668526 where: bonds (distance) C4'-P energy: -112.881 bonds (distance) P-C4' energy: -103.822 flat angles C4'-P-C4' energy: -150.883 flat angles P-C4'-P energy: -103.920 tors. eta vs tors. theta energy: -213.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2523.349938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.349938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.349938 (E_RNA) where: Base-Base interactions energy: -1847.088 where: short stacking energy: -711.146 Base-Backbone interact. energy: -3.253 local terms energy: -673.008308 where: bonds (distance) C4'-P energy: -117.120 bonds (distance) P-C4' energy: -111.557 flat angles C4'-P-C4' energy: -133.293 flat angles P-C4'-P energy: -97.947 tors. eta vs tors. theta energy: -213.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2497.701722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.701722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.701722 (E_RNA) where: Base-Base interactions energy: -1792.803 where: short stacking energy: -701.165 Base-Backbone interact. energy: -0.453 local terms energy: -704.445064 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -124.093 flat angles C4'-P-C4' energy: -141.972 flat angles P-C4'-P energy: -101.421 tors. eta vs tors. theta energy: -214.057 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: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2415.938639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.938639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.938639 (E_RNA) where: Base-Base interactions energy: -1748.805 where: short stacking energy: -684.496 Base-Backbone interact. energy: -1.167 local terms energy: -665.967102 where: bonds (distance) C4'-P energy: -115.283 bonds (distance) P-C4' energy: -110.938 flat angles C4'-P-C4' energy: -145.852 flat angles P-C4'-P energy: -90.537 tors. eta vs tors. theta energy: -203.357 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: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2340.474513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.474513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.474513 (E_RNA) where: Base-Base interactions energy: -1711.692 where: short stacking energy: -657.498 Base-Backbone interact. energy: 2.945 local terms energy: -631.727106 where: bonds (distance) C4'-P energy: -110.870 bonds (distance) P-C4' energy: -89.163 flat angles C4'-P-C4' energy: -136.169 flat angles P-C4'-P energy: -93.617 tors. eta vs tors. theta energy: -201.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2254.546919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.546919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.546919 (E_RNA) where: Base-Base interactions energy: -1640.734 where: short stacking energy: -639.505 Base-Backbone interact. energy: -2.674 local terms energy: -611.138954 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -122.305 flat angles P-C4'-P energy: -92.349 tors. eta vs tors. theta energy: -182.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -2151.499528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.499528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.499528 (E_RNA) where: Base-Base interactions energy: -1582.202 where: short stacking energy: -602.242 Base-Backbone interact. energy: -0.722 local terms energy: -568.575935 where: bonds (distance) C4'-P energy: -98.358 bonds (distance) P-C4' energy: -102.491 flat angles C4'-P-C4' energy: -112.065 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -185.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -2067.950974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.950974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.950974 (E_RNA) where: Base-Base interactions energy: -1518.342 where: short stacking energy: -585.759 Base-Backbone interact. energy: -0.177 local terms energy: -549.431235 where: bonds (distance) C4'-P energy: -87.026 bonds (distance) P-C4' energy: -107.632 flat angles C4'-P-C4' energy: -118.897 flat angles P-C4'-P energy: -75.942 tors. eta vs tors. theta energy: -159.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1652.363079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.363079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.363079 (E_RNA) where: Base-Base interactions energy: -1171.216 where: short stacking energy: -473.205 Base-Backbone interact. energy: -0.907 local terms energy: -480.239789 where: bonds (distance) C4'-P energy: -91.250 bonds (distance) P-C4' energy: -88.973 flat angles C4'-P-C4' energy: -109.520 flat angles P-C4'-P energy: -61.092 tors. eta vs tors. theta energy: -129.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2683.711295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.711295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.711295 (E_RNA) where: Base-Base interactions energy: -1953.686 where: short stacking energy: -754.178 Base-Backbone interact. energy: 0.193 local terms energy: -730.218240 where: bonds (distance) C4'-P energy: -126.725 bonds (distance) P-C4' energy: -128.727 flat angles C4'-P-C4' energy: -150.329 flat angles P-C4'-P energy: -97.129 tors. eta vs tors. theta energy: -227.308 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2561.820625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.820625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.820625 (E_RNA) where: Base-Base interactions energy: -1852.334 where: short stacking energy: -716.107 Base-Backbone interact. energy: 2.031 local terms energy: -711.517748 where: bonds (distance) C4'-P energy: -124.260 bonds (distance) P-C4' energy: -128.567 flat angles C4'-P-C4' energy: -145.781 flat angles P-C4'-P energy: -108.183 tors. eta vs tors. theta energy: -204.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2525.125609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.125609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.125609 (E_RNA) where: Base-Base interactions energy: -1834.274 where: short stacking energy: -715.132 Base-Backbone interact. energy: 0.378 local terms energy: -691.229759 where: bonds (distance) C4'-P energy: -107.928 bonds (distance) P-C4' energy: -118.610 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -110.250 tors. eta vs tors. theta energy: -210.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2481.485124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.485124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.485124 (E_RNA) where: Base-Base interactions energy: -1824.863 where: short stacking energy: -712.088 Base-Backbone interact. energy: 0.539 local terms energy: -657.160545 where: bonds (distance) C4'-P energy: -99.749 bonds (distance) P-C4' energy: -111.111 flat angles C4'-P-C4' energy: -135.969 flat angles P-C4'-P energy: -92.351 tors. eta vs tors. theta energy: -217.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2395.840591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.840591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.840591 (E_RNA) where: Base-Base interactions energy: -1738.766 where: short stacking energy: -672.377 Base-Backbone interact. energy: 1.131 local terms energy: -658.205627 where: bonds (distance) C4'-P energy: -113.462 bonds (distance) P-C4' energy: -121.549 flat angles C4'-P-C4' energy: -132.055 flat angles P-C4'-P energy: -86.737 tors. eta vs tors. theta energy: -204.402 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: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2342.927950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.927950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.927950 (E_RNA) where: Base-Base interactions energy: -1700.927 where: short stacking energy: -664.600 Base-Backbone interact. energy: 0.006 local terms energy: -642.006414 where: bonds (distance) C4'-P energy: -96.908 bonds (distance) P-C4' energy: -110.732 flat angles C4'-P-C4' energy: -128.048 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -207.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2263.351061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.351061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.351061 (E_RNA) where: Base-Base interactions energy: -1638.233 where: short stacking energy: -634.756 Base-Backbone interact. energy: -0.374 local terms energy: -624.743669 where: bonds (distance) C4'-P energy: -104.800 bonds (distance) P-C4' energy: -108.327 flat angles C4'-P-C4' energy: -129.896 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -194.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -2107.103066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.103066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.103066 (E_RNA) where: Base-Base interactions energy: -1517.849 where: short stacking energy: -577.279 Base-Backbone interact. energy: -1.857 local terms energy: -587.396803 where: bonds (distance) C4'-P energy: -91.163 bonds (distance) P-C4' energy: -100.413 flat angles C4'-P-C4' energy: -136.089 flat angles P-C4'-P energy: -87.326 tors. eta vs tors. theta energy: -172.405 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: 212 Temperature: 1.300000 Total energy: -2096.556715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.556715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.556715 (E_RNA) where: Base-Base interactions energy: -1530.024 where: short stacking energy: -589.362 Base-Backbone interact. energy: -2.478 local terms energy: -564.054605 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -126.266 flat angles C4'-P-C4' energy: -123.483 flat angles P-C4'-P energy: -80.661 tors. eta vs tors. theta energy: -162.747 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: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1635.025962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.025962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.025962 (E_RNA) where: Base-Base interactions energy: -1167.344 where: short stacking energy: -447.003 Base-Backbone interact. energy: 0.071 local terms energy: -467.753290 where: bonds (distance) C4'-P energy: -95.429 bonds (distance) P-C4' energy: -83.946 flat angles C4'-P-C4' energy: -95.843 flat angles P-C4'-P energy: -69.957 tors. eta vs tors. theta energy: -122.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2664.014907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.014907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.014907 (E_RNA) where: Base-Base interactions energy: -1944.200 where: short stacking energy: -764.935 Base-Backbone interact. energy: -0.733 local terms energy: -719.082407 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -125.740 flat angles C4'-P-C4' energy: -156.737 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -221.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2580.401244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.401244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.401244 (E_RNA) where: Base-Base interactions energy: -1855.398 where: short stacking energy: -710.139 Base-Backbone interact. energy: -2.374 local terms energy: -722.628949 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -123.801 flat angles C4'-P-C4' energy: -159.602 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -220.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2535.619054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.619054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.619054 (E_RNA) where: Base-Base interactions energy: -1861.547 where: short stacking energy: -718.269 Base-Backbone interact. energy: -1.571 local terms energy: -672.501281 where: bonds (distance) C4'-P energy: -96.402 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -148.073 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -199.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2485.233620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.233620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.233620 (E_RNA) where: Base-Base interactions energy: -1783.113 where: short stacking energy: -702.223 Base-Backbone interact. energy: -1.149 local terms energy: -700.972069 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -120.344 flat angles C4'-P-C4' energy: -147.386 flat angles P-C4'-P energy: -99.982 tors. eta vs tors. theta energy: -212.104 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: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2402.237589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.237589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.237589 (E_RNA) where: Base-Base interactions energy: -1728.598 where: short stacking energy: -676.426 Base-Backbone interact. energy: -1.350 local terms energy: -672.288942 where: bonds (distance) C4'-P energy: -120.551 bonds (distance) P-C4' energy: -100.828 flat angles C4'-P-C4' energy: -139.228 flat angles P-C4'-P energy: -102.966 tors. eta vs tors. theta energy: -208.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2382.392799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.392799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.392799 (E_RNA) where: Base-Base interactions energy: -1743.355 where: short stacking energy: -667.088 Base-Backbone interact. energy: 1.177 local terms energy: -640.214891 where: bonds (distance) C4'-P energy: -109.064 bonds (distance) P-C4' energy: -99.607 flat angles C4'-P-C4' energy: -132.715 flat angles P-C4'-P energy: -92.778 tors. eta vs tors. theta energy: -206.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2299.004318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.004318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.004318 (E_RNA) where: Base-Base interactions energy: -1667.795 where: short stacking energy: -655.259 Base-Backbone interact. energy: 3.055 local terms energy: -634.264715 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -101.842 flat angles C4'-P-C4' energy: -135.240 flat angles P-C4'-P energy: -88.942 tors. eta vs tors. theta energy: -204.487 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: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -2173.866570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.866570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.866570 (E_RNA) where: Base-Base interactions energy: -1594.295 where: short stacking energy: -608.334 Base-Backbone interact. energy: -1.368 local terms energy: -578.204027 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -105.579 flat angles C4'-P-C4' energy: -126.621 flat angles P-C4'-P energy: -81.056 tors. eta vs tors. theta energy: -174.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -2088.608021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.608021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.608021 (E_RNA) where: Base-Base interactions energy: -1532.090 where: short stacking energy: -584.146 Base-Backbone interact. energy: 0.224 local terms energy: -556.741748 where: bonds (distance) C4'-P energy: -101.192 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -115.390 flat angles P-C4'-P energy: -91.787 tors. eta vs tors. theta energy: -162.512 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: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1745.482251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.482251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.482251 (E_RNA) where: Base-Base interactions energy: -1239.224 where: short stacking energy: -478.698 Base-Backbone interact. energy: -0.289 local terms energy: -505.969428 where: bonds (distance) C4'-P energy: -93.142 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -80.939 tors. eta vs tors. theta energy: -117.538 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: 1, replica: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2671.237133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.237133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.237133 (E_RNA) where: Base-Base interactions energy: -1954.001 where: short stacking energy: -748.303 Base-Backbone interact. energy: -1.620 local terms energy: -715.616300 where: bonds (distance) C4'-P energy: -127.632 bonds (distance) P-C4' energy: -110.007 flat angles C4'-P-C4' energy: -147.693 flat angles P-C4'-P energy: -108.944 tors. eta vs tors. theta energy: -221.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2581.152238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.152238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.152238 (E_RNA) where: Base-Base interactions energy: -1862.769 where: short stacking energy: -712.633 Base-Backbone interact. energy: -1.268 local terms energy: -717.115964 where: bonds (distance) C4'-P energy: -118.181 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -155.516 flat angles P-C4'-P energy: -110.653 tors. eta vs tors. theta energy: -208.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2528.509191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.509191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.509191 (E_RNA) where: Base-Base interactions energy: -1832.054 where: short stacking energy: -720.564 Base-Backbone interact. energy: -1.119 local terms energy: -695.336224 where: bonds (distance) C4'-P energy: -111.965 bonds (distance) P-C4' energy: -125.144 flat angles C4'-P-C4' energy: -144.198 flat angles P-C4'-P energy: -106.830 tors. eta vs tors. theta energy: -207.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2486.410672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.410672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.410672 (E_RNA) where: Base-Base interactions energy: -1813.758 where: short stacking energy: -684.126 Base-Backbone interact. energy: -1.612 local terms energy: -671.041213 where: bonds (distance) C4'-P energy: -114.457 bonds (distance) P-C4' energy: -111.524 flat angles C4'-P-C4' energy: -138.863 flat angles P-C4'-P energy: -104.707 tors. eta vs tors. theta energy: -201.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2399.513181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.513181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.513181 (E_RNA) where: Base-Base interactions energy: -1752.250 where: short stacking energy: -681.725 Base-Backbone interact. energy: -0.705 local terms energy: -646.559107 where: bonds (distance) C4'-P energy: -105.211 bonds (distance) P-C4' energy: -118.433 flat angles C4'-P-C4' energy: -136.688 flat angles P-C4'-P energy: -77.966 tors. eta vs tors. theta energy: -208.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2383.630856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.630856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.630856 (E_RNA) where: Base-Base interactions energy: -1740.888 where: short stacking energy: -678.105 Base-Backbone interact. energy: 2.595 local terms energy: -645.338074 where: bonds (distance) C4'-P energy: -95.393 bonds (distance) P-C4' energy: -114.861 flat angles C4'-P-C4' energy: -133.269 flat angles P-C4'-P energy: -98.906 tors. eta vs tors. theta energy: -202.909 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: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2247.882307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.882307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.882307 (E_RNA) where: Base-Base interactions energy: -1622.460 where: short stacking energy: -640.505 Base-Backbone interact. energy: -1.679 local terms energy: -623.743246 where: bonds (distance) C4'-P energy: -115.043 bonds (distance) P-C4' energy: -121.987 flat angles C4'-P-C4' energy: -138.119 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -182.333 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: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -2200.244131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.244131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.244131 (E_RNA) where: Base-Base interactions energy: -1588.722 where: short stacking energy: -607.858 Base-Backbone interact. energy: -0.770 local terms energy: -610.752339 where: bonds (distance) C4'-P energy: -100.643 bonds (distance) P-C4' energy: -106.750 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -79.123 tors. eta vs tors. theta energy: -188.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -2101.410077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.410077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.410077 (E_RNA) where: Base-Base interactions energy: -1535.818 where: short stacking energy: -589.144 Base-Backbone interact. energy: 1.485 local terms energy: -567.077420 where: bonds (distance) C4'-P energy: -102.114 bonds (distance) P-C4' energy: -89.718 flat angles C4'-P-C4' energy: -127.368 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -177.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1750.904450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.904450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.904450 (E_RNA) where: Base-Base interactions energy: -1234.585 where: short stacking energy: -485.604 Base-Backbone interact. energy: 2.746 local terms energy: -519.066100 where: bonds (distance) C4'-P energy: -92.555 bonds (distance) P-C4' energy: -97.283 flat angles C4'-P-C4' energy: -108.863 flat angles P-C4'-P energy: -84.026 tors. eta vs tors. theta energy: -136.338 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: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2653.134993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.134993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.134993 (E_RNA) where: Base-Base interactions energy: -1920.817 where: short stacking energy: -742.154 Base-Backbone interact. energy: 0.765 local terms energy: -733.082643 where: bonds (distance) C4'-P energy: -130.336 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -151.008 flat angles P-C4'-P energy: -106.875 tors. eta vs tors. theta energy: -219.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2577.722452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.722452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.722452 (E_RNA) where: Base-Base interactions energy: -1868.380 where: short stacking energy: -739.964 Base-Backbone interact. energy: -0.481 local terms energy: -708.861160 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -113.783 flat angles C4'-P-C4' energy: -157.987 flat angles P-C4'-P energy: -98.008 tors. eta vs tors. theta energy: -219.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2550.941913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.941913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.941913 (E_RNA) where: Base-Base interactions energy: -1878.891 where: short stacking energy: -720.950 Base-Backbone interact. energy: 1.025 local terms energy: -673.076351 where: bonds (distance) C4'-P energy: -108.797 bonds (distance) P-C4' energy: -115.435 flat angles C4'-P-C4' energy: -142.624 flat angles P-C4'-P energy: -94.795 tors. eta vs tors. theta energy: -211.426 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: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2488.814598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.814598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.814598 (E_RNA) where: Base-Base interactions energy: -1802.833 where: short stacking energy: -686.571 Base-Backbone interact. energy: -1.425 local terms energy: -684.556818 where: bonds (distance) C4'-P energy: -125.871 bonds (distance) P-C4' energy: -117.445 flat angles C4'-P-C4' energy: -135.961 flat angles P-C4'-P energy: -102.831 tors. eta vs tors. theta energy: -202.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2392.438335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.438335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.438335 (E_RNA) where: Base-Base interactions energy: -1723.696 where: short stacking energy: -674.230 Base-Backbone interact. energy: 1.374 local terms energy: -670.116099 where: bonds (distance) C4'-P energy: -119.549 bonds (distance) P-C4' energy: -114.922 flat angles C4'-P-C4' energy: -139.094 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -207.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2357.392477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.392477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.392477 (E_RNA) where: Base-Base interactions energy: -1744.171 where: short stacking energy: -665.506 Base-Backbone interact. energy: -2.549 local terms energy: -610.673209 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -100.520 flat angles C4'-P-C4' energy: -131.549 flat angles P-C4'-P energy: -77.396 tors. eta vs tors. theta energy: -193.584 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: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2252.768779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.768779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.768779 (E_RNA) where: Base-Base interactions energy: -1618.411 where: short stacking energy: -638.539 Base-Backbone interact. energy: -1.995 local terms energy: -632.362371 where: bonds (distance) C4'-P energy: -109.171 bonds (distance) P-C4' energy: -110.803 flat angles C4'-P-C4' energy: -130.721 flat angles P-C4'-P energy: -90.264 tors. eta vs tors. theta energy: -191.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -2212.637187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.637187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.637187 (E_RNA) where: Base-Base interactions energy: -1631.792 where: short stacking energy: -639.606 Base-Backbone interact. energy: -1.584 local terms energy: -579.260919 where: bonds (distance) C4'-P energy: -83.077 bonds (distance) P-C4' energy: -97.621 flat angles C4'-P-C4' energy: -138.885 flat angles P-C4'-P energy: -79.461 tors. eta vs tors. theta energy: -180.217 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: 215 Temperature: 1.300000 Total energy: -2040.545371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.545371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.545371 (E_RNA) where: Base-Base interactions energy: -1495.750 where: short stacking energy: -565.753 Base-Backbone interact. energy: -0.859 local terms energy: -543.936619 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -104.029 flat angles C4'-P-C4' energy: -115.910 flat angles P-C4'-P energy: -81.288 tors. eta vs tors. theta energy: -168.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1690.798602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.798602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.798602 (E_RNA) where: Base-Base interactions energy: -1194.357 where: short stacking energy: -460.139 Base-Backbone interact. energy: -0.239 local terms energy: -496.201945 where: bonds (distance) C4'-P energy: -90.028 bonds (distance) P-C4' energy: -97.844 flat angles C4'-P-C4' energy: -107.795 flat angles P-C4'-P energy: -73.166 tors. eta vs tors. theta energy: -127.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2656.239041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.239041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.239041 (E_RNA) where: Base-Base interactions energy: -1933.262 where: short stacking energy: -749.059 Base-Backbone interact. energy: -0.218 local terms energy: -722.759643 where: bonds (distance) C4'-P energy: -120.003 bonds (distance) P-C4' energy: -123.282 flat angles C4'-P-C4' energy: -156.589 flat angles P-C4'-P energy: -103.484 tors. eta vs tors. theta energy: -219.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2552.208094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.208094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.208094 (E_RNA) where: Base-Base interactions energy: -1855.042 where: short stacking energy: -722.670 Base-Backbone interact. energy: 2.544 local terms energy: -699.709287 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -127.759 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -100.624 tors. eta vs tors. theta energy: -209.428 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: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2534.300653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.300653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.300653 (E_RNA) where: Base-Base interactions energy: -1849.053 where: short stacking energy: -709.198 Base-Backbone interact. energy: -0.197 local terms energy: -685.050075 where: bonds (distance) C4'-P energy: -111.023 bonds (distance) P-C4' energy: -122.213 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -104.859 tors. eta vs tors. theta energy: -202.661 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: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2503.621891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.621891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.621891 (E_RNA) where: Base-Base interactions energy: -1845.256 where: short stacking energy: -696.750 Base-Backbone interact. energy: -1.616 local terms energy: -656.749209 where: bonds (distance) C4'-P energy: -114.865 bonds (distance) P-C4' energy: -107.361 flat angles C4'-P-C4' energy: -130.057 flat angles P-C4'-P energy: -101.478 tors. eta vs tors. theta energy: -202.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2403.791836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.791836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.791836 (E_RNA) where: Base-Base interactions energy: -1725.104 where: short stacking energy: -677.343 Base-Backbone interact. energy: -0.326 local terms energy: -678.362343 where: bonds (distance) C4'-P energy: -111.376 bonds (distance) P-C4' energy: -119.919 flat angles C4'-P-C4' energy: -137.661 flat angles P-C4'-P energy: -99.719 tors. eta vs tors. theta energy: -209.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2383.909176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.909176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.909176 (E_RNA) where: Base-Base interactions energy: -1757.786 where: short stacking energy: -672.903 Base-Backbone interact. energy: 0.490 local terms energy: -626.612918 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -107.061 flat angles C4'-P-C4' energy: -136.049 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -209.974 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: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2251.910226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.910226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.910226 (E_RNA) where: Base-Base interactions energy: -1645.453 where: short stacking energy: -625.847 Base-Backbone interact. energy: -1.145 local terms energy: -605.311952 where: bonds (distance) C4'-P energy: -83.300 bonds (distance) P-C4' energy: -118.070 flat angles C4'-P-C4' energy: -128.979 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: -182.522 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: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -2227.884538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.884538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.884538 (E_RNA) where: Base-Base interactions energy: -1605.655 where: short stacking energy: -625.408 Base-Backbone interact. energy: -1.408 local terms energy: -620.821012 where: bonds (distance) C4'-P energy: -100.168 bonds (distance) P-C4' energy: -114.663 flat angles C4'-P-C4' energy: -142.762 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: -188.746 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: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1989.921947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.921947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.921947 (E_RNA) where: Base-Base interactions energy: -1430.822 where: short stacking energy: -535.825 Base-Backbone interact. energy: 5.814 local terms energy: -564.914251 where: bonds (distance) C4'-P energy: -105.503 bonds (distance) P-C4' energy: -97.498 flat angles C4'-P-C4' energy: -124.371 flat angles P-C4'-P energy: -85.240 tors. eta vs tors. theta energy: -152.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1828.654921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.654921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.654921 (E_RNA) where: Base-Base interactions energy: -1295.315 where: short stacking energy: -510.382 Base-Backbone interact. energy: -3.892 local terms energy: -529.447423 where: bonds (distance) C4'-P energy: -101.839 bonds (distance) P-C4' energy: -103.671 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -67.127 tors. eta vs tors. theta energy: -145.032 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: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2668.216028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.216028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.216028 (E_RNA) where: Base-Base interactions energy: -1947.706 where: short stacking energy: -745.678 Base-Backbone interact. energy: -0.877 local terms energy: -719.632701 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -124.315 flat angles C4'-P-C4' energy: -142.226 flat angles P-C4'-P energy: -104.756 tors. eta vs tors. theta energy: -223.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2582.951722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.951722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.951722 (E_RNA) where: Base-Base interactions energy: -1883.842 where: short stacking energy: -743.244 Base-Backbone interact. energy: -0.186 local terms energy: -698.923798 where: bonds (distance) C4'-P energy: -110.867 bonds (distance) P-C4' energy: -120.557 flat angles C4'-P-C4' energy: -143.497 flat angles P-C4'-P energy: -110.359 tors. eta vs tors. theta energy: -213.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2537.659339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.659339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.659339 (E_RNA) where: Base-Base interactions energy: -1831.303 where: short stacking energy: -720.563 Base-Backbone interact. energy: 0.140 local terms energy: -706.495714 where: bonds (distance) C4'-P energy: -114.958 bonds (distance) P-C4' energy: -118.741 flat angles C4'-P-C4' energy: -148.600 flat angles P-C4'-P energy: -112.053 tors. eta vs tors. theta energy: -212.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2471.299363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.299363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.299363 (E_RNA) where: Base-Base interactions energy: -1821.095 where: short stacking energy: -690.148 Base-Backbone interact. energy: 0.072 local terms energy: -650.276364 where: bonds (distance) C4'-P energy: -112.492 bonds (distance) P-C4' energy: -115.554 flat angles C4'-P-C4' energy: -135.663 flat angles P-C4'-P energy: -90.496 tors. eta vs tors. theta energy: -196.070 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: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2388.440413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.440413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.440413 (E_RNA) where: Base-Base interactions energy: -1738.232 where: short stacking energy: -668.859 Base-Backbone interact. energy: -0.330 local terms energy: -649.878173 where: bonds (distance) C4'-P energy: -105.866 bonds (distance) P-C4' energy: -121.622 flat angles C4'-P-C4' energy: -137.430 flat angles P-C4'-P energy: -93.031 tors. eta vs tors. theta energy: -191.928 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: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2369.051632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.051632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.051632 (E_RNA) where: Base-Base interactions energy: -1716.699 where: short stacking energy: -659.141 Base-Backbone interact. energy: 0.448 local terms energy: -652.800187 where: bonds (distance) C4'-P energy: -103.837 bonds (distance) P-C4' energy: -113.593 flat angles C4'-P-C4' energy: -145.876 flat angles P-C4'-P energy: -87.006 tors. eta vs tors. theta energy: -202.488 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: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2216.109438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.109438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.109438 (E_RNA) where: Base-Base interactions energy: -1624.450 where: short stacking energy: -623.027 Base-Backbone interact. energy: 0.255 local terms energy: -591.913930 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -109.631 flat angles C4'-P-C4' energy: -118.951 flat angles P-C4'-P energy: -76.030 tors. eta vs tors. theta energy: -185.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -2234.532124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.532124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.532124 (E_RNA) where: Base-Base interactions energy: -1613.020 where: short stacking energy: -640.011 Base-Backbone interact. energy: 0.042 local terms energy: -621.554743 where: bonds (distance) C4'-P energy: -97.308 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -129.156 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -197.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -2002.587038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.587038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.587038 (E_RNA) where: Base-Base interactions energy: -1452.684 where: short stacking energy: -557.051 Base-Backbone interact. energy: 0.545 local terms energy: -550.447358 where: bonds (distance) C4'-P energy: -106.600 bonds (distance) P-C4' energy: -103.139 flat angles C4'-P-C4' energy: -121.361 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -149.370 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: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1793.787239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.787239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.787239 (E_RNA) where: Base-Base interactions energy: -1276.944 where: short stacking energy: -504.939 Base-Backbone interact. energy: -0.726 local terms energy: -516.116879 where: bonds (distance) C4'-P energy: -79.659 bonds (distance) P-C4' energy: -91.042 flat angles C4'-P-C4' energy: -121.314 flat angles P-C4'-P energy: -82.334 tors. eta vs tors. theta energy: -141.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2648.436046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.436046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.436046 (E_RNA) where: Base-Base interactions energy: -1945.056 where: short stacking energy: -749.048 Base-Backbone interact. energy: -0.276 local terms energy: -703.103701 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -114.566 flat angles C4'-P-C4' energy: -146.375 flat angles P-C4'-P energy: -93.774 tors. eta vs tors. theta energy: -215.897 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: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2586.148804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.148804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.148804 (E_RNA) where: Base-Base interactions energy: -1912.104 where: short stacking energy: -744.843 Base-Backbone interact. energy: -1.001 local terms energy: -673.044144 where: bonds (distance) C4'-P energy: -108.944 bonds (distance) P-C4' energy: -101.128 flat angles C4'-P-C4' energy: -150.664 flat angles P-C4'-P energy: -89.175 tors. eta vs tors. theta energy: -223.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2515.014709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.014709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.014709 (E_RNA) where: Base-Base interactions energy: -1821.021 where: short stacking energy: -708.300 Base-Backbone interact. energy: 0.449 local terms energy: -694.442612 where: bonds (distance) C4'-P energy: -118.077 bonds (distance) P-C4' energy: -127.367 flat angles C4'-P-C4' energy: -139.792 flat angles P-C4'-P energy: -105.168 tors. eta vs tors. theta energy: -204.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2485.836375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.836375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.836375 (E_RNA) where: Base-Base interactions energy: -1805.469 where: short stacking energy: -710.685 Base-Backbone interact. energy: -0.651 local terms energy: -679.716113 where: bonds (distance) C4'-P energy: -110.321 bonds (distance) P-C4' energy: -106.541 flat angles C4'-P-C4' energy: -146.637 flat angles P-C4'-P energy: -99.865 tors. eta vs tors. theta energy: -216.353 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: 218 Temperature: 1.100000 Total energy: -2401.325690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.325690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.325690 (E_RNA) where: Base-Base interactions energy: -1758.751 where: short stacking energy: -660.082 Base-Backbone interact. energy: 3.226 local terms energy: -645.800529 where: bonds (distance) C4'-P energy: -97.556 bonds (distance) P-C4' energy: -114.704 flat angles C4'-P-C4' energy: -132.664 flat angles P-C4'-P energy: -101.957 tors. eta vs tors. theta energy: -198.919 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: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2365.332508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.332508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.332508 (E_RNA) where: Base-Base interactions energy: -1695.096 where: short stacking energy: -664.761 Base-Backbone interact. energy: -0.403 local terms energy: -669.833244 where: bonds (distance) C4'-P energy: -105.790 bonds (distance) P-C4' energy: -112.931 flat angles C4'-P-C4' energy: -148.658 flat angles P-C4'-P energy: -98.890 tors. eta vs tors. theta energy: -203.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2270.029211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.029211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.029211 (E_RNA) where: Base-Base interactions energy: -1650.379 where: short stacking energy: -649.489 Base-Backbone interact. energy: -1.179 local terms energy: -618.470789 where: bonds (distance) C4'-P energy: -106.864 bonds (distance) P-C4' energy: -99.117 flat angles C4'-P-C4' energy: -140.256 flat angles P-C4'-P energy: -92.432 tors. eta vs tors. theta energy: -179.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -2214.195594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.195594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.195594 (E_RNA) where: Base-Base interactions energy: -1613.305 where: short stacking energy: -609.904 Base-Backbone interact. energy: -0.432 local terms energy: -600.458502 where: bonds (distance) C4'-P energy: -101.114 bonds (distance) P-C4' energy: -101.762 flat angles C4'-P-C4' energy: -126.498 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -187.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -2007.736572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.736572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.736572 (E_RNA) where: Base-Base interactions energy: -1462.142 where: short stacking energy: -563.966 Base-Backbone interact. energy: -0.887 local terms energy: -544.707928 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -86.942 flat angles C4'-P-C4' energy: -130.805 flat angles P-C4'-P energy: -81.984 tors. eta vs tors. theta energy: -159.332 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: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1645.230535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.230535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.230535 (E_RNA) where: Base-Base interactions energy: -1138.498 where: short stacking energy: -453.735 Base-Backbone interact. energy: 1.277 local terms energy: -508.010098 where: bonds (distance) C4'-P energy: -99.019 bonds (distance) P-C4' energy: -110.638 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -70.283 tors. eta vs tors. theta energy: -124.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2675.418666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.418666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.418666 (E_RNA) where: Base-Base interactions energy: -1971.627 where: short stacking energy: -753.763 Base-Backbone interact. energy: -1.462 local terms energy: -702.330496 where: bonds (distance) C4'-P energy: -107.982 bonds (distance) P-C4' energy: -118.319 flat angles C4'-P-C4' energy: -157.050 flat angles P-C4'-P energy: -100.040 tors. eta vs tors. theta energy: -218.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2601.532662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.532662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.532662 (E_RNA) where: Base-Base interactions energy: -1900.848 where: short stacking energy: -732.310 Base-Backbone interact. energy: -1.843 local terms energy: -698.841850 where: bonds (distance) C4'-P energy: -117.878 bonds (distance) P-C4' energy: -115.568 flat angles C4'-P-C4' energy: -153.104 flat angles P-C4'-P energy: -104.459 tors. eta vs tors. theta energy: -207.833 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: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2523.974617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.974617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.974617 (E_RNA) where: Base-Base interactions energy: -1820.553 where: short stacking energy: -711.448 Base-Backbone interact. energy: -4.269 local terms energy: -699.151923 where: bonds (distance) C4'-P energy: -132.540 bonds (distance) P-C4' energy: -117.578 flat angles C4'-P-C4' energy: -147.250 flat angles P-C4'-P energy: -91.302 tors. eta vs tors. theta energy: -210.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2493.149485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.149485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.149485 (E_RNA) where: Base-Base interactions energy: -1797.993 where: short stacking energy: -720.919 Base-Backbone interact. energy: -1.621 local terms energy: -693.535450 where: bonds (distance) C4'-P energy: -122.406 bonds (distance) P-C4' energy: -102.835 flat angles C4'-P-C4' energy: -155.204 flat angles P-C4'-P energy: -96.650 tors. eta vs tors. theta energy: -216.441 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2396.726238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.726238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.726238 (E_RNA) where: Base-Base interactions energy: -1759.071 where: short stacking energy: -682.334 Base-Backbone interact. energy: 3.084 local terms energy: -640.739673 where: bonds (distance) C4'-P energy: -110.683 bonds (distance) P-C4' energy: -95.575 flat angles C4'-P-C4' energy: -140.082 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -201.140 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: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2336.569685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.569685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.569685 (E_RNA) where: Base-Base interactions energy: -1717.619 where: short stacking energy: -660.853 Base-Backbone interact. energy: -0.855 local terms energy: -618.095161 where: bonds (distance) C4'-P energy: -107.795 bonds (distance) P-C4' energy: -103.199 flat angles C4'-P-C4' energy: -126.501 flat angles P-C4'-P energy: -79.630 tors. eta vs tors. theta energy: -200.970 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: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2224.710547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.710547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.710547 (E_RNA) where: Base-Base interactions energy: -1617.947 where: short stacking energy: -609.587 Base-Backbone interact. energy: -1.376 local terms energy: -605.387896 where: bonds (distance) C4'-P energy: -102.262 bonds (distance) P-C4' energy: -100.692 flat angles C4'-P-C4' energy: -124.413 flat angles P-C4'-P energy: -93.538 tors. eta vs tors. theta energy: -184.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -2231.525969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.525969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.525969 (E_RNA) where: Base-Base interactions energy: -1612.683 where: short stacking energy: -616.890 Base-Backbone interact. energy: -0.605 local terms energy: -618.237424 where: bonds (distance) C4'-P energy: -109.031 bonds (distance) P-C4' energy: -101.929 flat angles C4'-P-C4' energy: -128.939 flat angles P-C4'-P energy: -95.185 tors. eta vs tors. theta energy: -183.154 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: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -2063.944793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.944793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.944793 (E_RNA) where: Base-Base interactions energy: -1509.693 where: short stacking energy: -575.404 Base-Backbone interact. energy: 4.423 local terms energy: -558.675416 where: bonds (distance) C4'-P energy: -99.919 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -84.918 tors. eta vs tors. theta energy: -170.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1644.358464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.358464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.358464 (E_RNA) where: Base-Base interactions energy: -1154.139 where: short stacking energy: -473.668 Base-Backbone interact. energy: -0.015 local terms energy: -490.204304 where: bonds (distance) C4'-P energy: -93.017 bonds (distance) P-C4' energy: -83.034 flat angles C4'-P-C4' energy: -125.466 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -125.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2668.243328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.243328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.243328 (E_RNA) where: Base-Base interactions energy: -1966.244 where: short stacking energy: -757.989 Base-Backbone interact. energy: -1.022 local terms energy: -700.977119 where: bonds (distance) C4'-P energy: -105.921 bonds (distance) P-C4' energy: -119.452 flat angles C4'-P-C4' energy: -151.746 flat angles P-C4'-P energy: -108.399 tors. eta vs tors. theta energy: -215.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2597.029074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.029074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.029074 (E_RNA) where: Base-Base interactions energy: -1889.185 where: short stacking energy: -734.091 Base-Backbone interact. energy: -3.367 local terms energy: -704.476310 where: bonds (distance) C4'-P energy: -117.278 bonds (distance) P-C4' energy: -121.187 flat angles C4'-P-C4' energy: -150.765 flat angles P-C4'-P energy: -97.410 tors. eta vs tors. theta energy: -217.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2581.922180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.922180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.922180 (E_RNA) where: Base-Base interactions energy: -1882.364 where: short stacking energy: -727.163 Base-Backbone interact. energy: -2.327 local terms energy: -697.231120 where: bonds (distance) C4'-P energy: -107.069 bonds (distance) P-C4' energy: -121.374 flat angles C4'-P-C4' energy: -149.339 flat angles P-C4'-P energy: -111.839 tors. eta vs tors. theta energy: -207.610 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: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2469.364031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.364031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.364031 (E_RNA) where: Base-Base interactions energy: -1787.706 where: short stacking energy: -712.439 Base-Backbone interact. energy: 3.989 local terms energy: -685.646893 where: bonds (distance) C4'-P energy: -115.425 bonds (distance) P-C4' energy: -118.001 flat angles C4'-P-C4' energy: -141.592 flat angles P-C4'-P energy: -96.983 tors. eta vs tors. theta energy: -213.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2431.894395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.894395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.894395 (E_RNA) where: Base-Base interactions energy: -1743.278 where: short stacking energy: -673.090 Base-Backbone interact. energy: -0.784 local terms energy: -687.832165 where: bonds (distance) C4'-P energy: -128.457 bonds (distance) P-C4' energy: -125.963 flat angles C4'-P-C4' energy: -140.133 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -201.210 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: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2351.379172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.379172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.379172 (E_RNA) where: Base-Base interactions energy: -1731.118 where: short stacking energy: -679.487 Base-Backbone interact. energy: -1.477 local terms energy: -618.783968 where: bonds (distance) C4'-P energy: -99.826 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -135.372 flat angles P-C4'-P energy: -85.660 tors. eta vs tors. theta energy: -199.790 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: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2267.801913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.801913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.801913 (E_RNA) where: Base-Base interactions energy: -1667.867 where: short stacking energy: -642.087 Base-Backbone interact. energy: 0.875 local terms energy: -600.809801 where: bonds (distance) C4'-P energy: -89.902 bonds (distance) P-C4' energy: -108.991 flat angles C4'-P-C4' energy: -131.044 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -188.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -2186.654280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.654280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.654280 (E_RNA) where: Base-Base interactions energy: -1602.589 where: short stacking energy: -606.598 Base-Backbone interact. energy: -1.121 local terms energy: -582.945059 where: bonds (distance) C4'-P energy: -101.399 bonds (distance) P-C4' energy: -93.889 flat angles C4'-P-C4' energy: -131.039 flat angles P-C4'-P energy: -79.395 tors. eta vs tors. theta energy: -177.223 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: 220 Temperature: 1.300000 Total energy: -2020.504279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.504279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.504279 (E_RNA) where: Base-Base interactions energy: -1489.250 where: short stacking energy: -581.137 Base-Backbone interact. energy: -2.531 local terms energy: -528.723504 where: bonds (distance) C4'-P energy: -81.947 bonds (distance) P-C4' energy: -85.440 flat angles C4'-P-C4' energy: -123.610 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -159.437 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: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1637.091752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.091752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.091752 (E_RNA) where: Base-Base interactions energy: -1154.296 where: short stacking energy: -467.474 Base-Backbone interact. energy: -0.100 local terms energy: -482.695217 where: bonds (distance) C4'-P energy: -87.879 bonds (distance) P-C4' energy: -92.313 flat angles C4'-P-C4' energy: -104.204 flat angles P-C4'-P energy: -76.464 tors. eta vs tors. theta energy: -121.835 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: 221 Temperature: 0.900000 Total energy: -2670.974723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.974723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.974723 (E_RNA) where: Base-Base interactions energy: -1956.467 where: short stacking energy: -756.207 Base-Backbone interact. energy: -3.729 local terms energy: -710.779566 where: bonds (distance) C4'-P energy: -122.139 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -157.581 flat angles P-C4'-P energy: -105.124 tors. eta vs tors. theta energy: -218.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2565.149535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.149535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.149535 (E_RNA) where: Base-Base interactions energy: -1861.442 where: short stacking energy: -726.158 Base-Backbone interact. energy: -1.899 local terms energy: -701.808465 where: bonds (distance) C4'-P energy: -125.975 bonds (distance) P-C4' energy: -121.303 flat angles C4'-P-C4' energy: -144.176 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -213.851 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: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2573.253621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.253621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.253621 (E_RNA) where: Base-Base interactions energy: -1881.255 where: short stacking energy: -730.088 Base-Backbone interact. energy: -3.385 local terms energy: -688.613985 where: bonds (distance) C4'-P energy: -111.087 bonds (distance) P-C4' energy: -128.233 flat angles C4'-P-C4' energy: -150.272 flat angles P-C4'-P energy: -79.585 tors. eta vs tors. theta energy: -219.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2463.768226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.768226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.768226 (E_RNA) where: Base-Base interactions energy: -1801.060 where: short stacking energy: -722.149 Base-Backbone interact. energy: -1.180 local terms energy: -661.527827 where: bonds (distance) C4'-P energy: -100.491 bonds (distance) P-C4' energy: -106.985 flat angles C4'-P-C4' energy: -141.769 flat angles P-C4'-P energy: -102.238 tors. eta vs tors. theta energy: -210.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2431.975471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.975471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.975471 (E_RNA) where: Base-Base interactions energy: -1778.920 where: short stacking energy: -688.737 Base-Backbone interact. energy: -1.391 local terms energy: -651.664776 where: bonds (distance) C4'-P energy: -115.463 bonds (distance) P-C4' energy: -104.369 flat angles C4'-P-C4' energy: -134.189 flat angles P-C4'-P energy: -89.937 tors. eta vs tors. theta energy: -207.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2289.276268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.276268 (E_RNA) where: Base-Base interactions energy: -1656.521 where: short stacking energy: -644.053 Base-Backbone interact. energy: -1.619 local terms energy: -631.136362 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -104.368 flat angles C4'-P-C4' energy: -127.855 flat angles P-C4'-P energy: -88.181 tors. eta vs tors. theta energy: -194.155 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: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2247.475698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.475698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.475698 (E_RNA) where: Base-Base interactions energy: -1615.983 where: short stacking energy: -634.941 Base-Backbone interact. energy: -0.514 local terms energy: -630.978696 where: bonds (distance) C4'-P energy: -103.141 bonds (distance) P-C4' energy: -111.725 flat angles C4'-P-C4' energy: -131.837 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -186.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -2159.267531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.267531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.267531 (E_RNA) where: Base-Base interactions energy: -1598.746 where: short stacking energy: -608.911 Base-Backbone interact. energy: -0.766 local terms energy: -559.756268 where: bonds (distance) C4'-P energy: -86.575 bonds (distance) P-C4' energy: -94.566 flat angles C4'-P-C4' energy: -139.995 flat angles P-C4'-P energy: -68.307 tors. eta vs tors. theta energy: -170.314 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: 221 Temperature: 1.300000 Total energy: -2018.648751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.648751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.648751 (E_RNA) where: Base-Base interactions energy: -1462.192 where: short stacking energy: -547.336 Base-Backbone interact. energy: -1.849 local terms energy: -554.608066 where: bonds (distance) C4'-P energy: -98.780 bonds (distance) P-C4' energy: -89.687 flat angles C4'-P-C4' energy: -133.426 flat angles P-C4'-P energy: -81.285 tors. eta vs tors. theta energy: -151.430 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: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1684.754435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.754435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.754435 (E_RNA) where: Base-Base interactions energy: -1180.152 where: short stacking energy: -470.960 Base-Backbone interact. energy: 3.704 local terms energy: -508.306379 where: bonds (distance) C4'-P energy: -101.745 bonds (distance) P-C4' energy: -94.282 flat angles C4'-P-C4' energy: -115.568 flat angles P-C4'-P energy: -71.160 tors. eta vs tors. theta energy: -125.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2662.187749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.187749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.187749 (E_RNA) where: Base-Base interactions energy: -1951.551 where: short stacking energy: -761.347 Base-Backbone interact. energy: 1.769 local terms energy: -712.405850 where: bonds (distance) C4'-P energy: -123.770 bonds (distance) P-C4' energy: -119.915 flat angles C4'-P-C4' energy: -146.471 flat angles P-C4'-P energy: -102.079 tors. eta vs tors. theta energy: -220.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2580.775101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.775101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.775101 (E_RNA) where: Base-Base interactions energy: -1897.575 where: short stacking energy: -728.013 Base-Backbone interact. energy: -0.735 local terms energy: -682.465330 where: bonds (distance) C4'-P energy: -107.242 bonds (distance) P-C4' energy: -108.788 flat angles C4'-P-C4' energy: -143.957 flat angles P-C4'-P energy: -106.938 tors. eta vs tors. theta energy: -215.540 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2567.168056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.168056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.168056 (E_RNA) where: Base-Base interactions energy: -1869.431 where: short stacking energy: -728.046 Base-Backbone interact. energy: -2.350 local terms energy: -695.386768 where: bonds (distance) C4'-P energy: -108.171 bonds (distance) P-C4' energy: -131.446 flat angles C4'-P-C4' energy: -140.937 flat angles P-C4'-P energy: -102.720 tors. eta vs tors. theta energy: -212.112 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: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2447.585337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.585337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.585337 (E_RNA) where: Base-Base interactions energy: -1766.277 where: short stacking energy: -700.256 Base-Backbone interact. energy: -0.178 local terms energy: -681.130825 where: bonds (distance) C4'-P energy: -111.633 bonds (distance) P-C4' energy: -110.217 flat angles C4'-P-C4' energy: -137.662 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -211.506 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: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2418.894501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.894501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.894501 (E_RNA) where: Base-Base interactions energy: -1773.401 where: short stacking energy: -677.485 Base-Backbone interact. energy: -0.870 local terms energy: -644.623190 where: bonds (distance) C4'-P energy: -107.511 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -131.976 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -194.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2336.415567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.415567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.415567 (E_RNA) where: Base-Base interactions energy: -1689.048 where: short stacking energy: -660.718 Base-Backbone interact. energy: -0.804 local terms energy: -646.563446 where: bonds (distance) C4'-P energy: -113.855 bonds (distance) P-C4' energy: -113.916 flat angles C4'-P-C4' energy: -133.210 flat angles P-C4'-P energy: -96.070 tors. eta vs tors. theta energy: -189.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2286.581839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.581839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.581839 (E_RNA) where: Base-Base interactions energy: -1658.014 where: short stacking energy: -647.938 Base-Backbone interact. energy: -1.351 local terms energy: -627.217089 where: bonds (distance) C4'-P energy: -98.397 bonds (distance) P-C4' energy: -108.133 flat angles C4'-P-C4' energy: -144.390 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: -195.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -2143.895045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.895045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.895045 (E_RNA) where: Base-Base interactions energy: -1602.311 where: short stacking energy: -614.228 Base-Backbone interact. energy: -0.757 local terms energy: -540.826630 where: bonds (distance) C4'-P energy: -96.236 bonds (distance) P-C4' energy: -82.647 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -67.491 tors. eta vs tors. theta energy: -166.995 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: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -2004.866607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.866607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.866607 (E_RNA) where: Base-Base interactions energy: -1436.938 where: short stacking energy: -563.560 Base-Backbone interact. energy: -1.673 local terms energy: -566.256006 where: bonds (distance) C4'-P energy: -113.547 bonds (distance) P-C4' energy: -98.170 flat angles C4'-P-C4' energy: -115.290 flat angles P-C4'-P energy: -75.615 tors. eta vs tors. theta energy: -163.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1665.858379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.858379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.858379 (E_RNA) where: Base-Base interactions energy: -1148.683 where: short stacking energy: -450.521 Base-Backbone interact. energy: -0.620 local terms energy: -516.554950 where: bonds (distance) C4'-P energy: -98.771 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -110.735 flat angles P-C4'-P energy: -68.767 tors. eta vs tors. theta energy: -123.580 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: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2666.059646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.059646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.059646 (E_RNA) where: Base-Base interactions energy: -1952.465 where: short stacking energy: -748.730 Base-Backbone interact. energy: 0.463 local terms energy: -714.058080 where: bonds (distance) C4'-P energy: -109.901 bonds (distance) P-C4' energy: -127.119 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -99.753 tors. eta vs tors. theta energy: -221.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2629.640606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.640606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.640606 (E_RNA) where: Base-Base interactions energy: -1938.655 where: short stacking energy: -738.586 Base-Backbone interact. energy: 7.218 local terms energy: -698.202933 where: bonds (distance) C4'-P energy: -126.061 bonds (distance) P-C4' energy: -111.883 flat angles C4'-P-C4' energy: -146.431 flat angles P-C4'-P energy: -97.278 tors. eta vs tors. theta energy: -216.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2555.235148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.235148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.235148 (E_RNA) where: Base-Base interactions energy: -1870.024 where: short stacking energy: -723.602 Base-Backbone interact. energy: 0.402 local terms energy: -685.613368 where: bonds (distance) C4'-P energy: -117.786 bonds (distance) P-C4' energy: -119.388 flat angles C4'-P-C4' energy: -141.882 flat angles P-C4'-P energy: -96.288 tors. eta vs tors. theta energy: -210.269 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: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2458.099290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.099290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.099290 (E_RNA) where: Base-Base interactions energy: -1781.755 where: short stacking energy: -698.721 Base-Backbone interact. energy: 1.431 local terms energy: -677.775612 where: bonds (distance) C4'-P energy: -117.379 bonds (distance) P-C4' energy: -104.222 flat angles C4'-P-C4' energy: -148.633 flat angles P-C4'-P energy: -87.309 tors. eta vs tors. theta energy: -220.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2414.073147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.073147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.073147 (E_RNA) where: Base-Base interactions energy: -1765.905 where: short stacking energy: -669.558 Base-Backbone interact. energy: -0.241 local terms energy: -647.926704 where: bonds (distance) C4'-P energy: -115.059 bonds (distance) P-C4' energy: -99.276 flat angles C4'-P-C4' energy: -141.153 flat angles P-C4'-P energy: -94.403 tors. eta vs tors. theta energy: -198.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2349.455321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.455321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.455321 (E_RNA) where: Base-Base interactions energy: -1690.646 where: short stacking energy: -666.696 Base-Backbone interact. energy: -0.259 local terms energy: -658.549904 where: bonds (distance) C4'-P energy: -93.362 bonds (distance) P-C4' energy: -124.481 flat angles C4'-P-C4' energy: -141.446 flat angles P-C4'-P energy: -100.197 tors. eta vs tors. theta energy: -199.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2265.770693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.770693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.770693 (E_RNA) where: Base-Base interactions energy: -1672.561 where: short stacking energy: -648.764 Base-Backbone interact. energy: 1.387 local terms energy: -594.596882 where: bonds (distance) C4'-P energy: -95.964 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -76.436 tors. eta vs tors. theta energy: -194.039 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: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -2134.381192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.381192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.381192 (E_RNA) where: Base-Base interactions energy: -1561.014 where: short stacking energy: -600.771 Base-Backbone interact. energy: -2.064 local terms energy: -571.302611 where: bonds (distance) C4'-P energy: -100.683 bonds (distance) P-C4' energy: -100.847 flat angles C4'-P-C4' energy: -117.931 flat angles P-C4'-P energy: -81.013 tors. eta vs tors. theta energy: -170.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -2131.314942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.314942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.314942 (E_RNA) where: Base-Base interactions energy: -1598.115 where: short stacking energy: -618.008 Base-Backbone interact. energy: -1.484 local terms energy: -531.716004 where: bonds (distance) C4'-P energy: -85.753 bonds (distance) P-C4' energy: -92.407 flat angles C4'-P-C4' energy: -112.324 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: -171.383 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: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1696.258417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.258417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.258417 (E_RNA) where: Base-Base interactions energy: -1196.775 where: short stacking energy: -481.425 Base-Backbone interact. energy: 4.325 local terms energy: -503.808961 where: bonds (distance) C4'-P energy: -96.981 bonds (distance) P-C4' energy: -100.550 flat angles C4'-P-C4' energy: -113.182 flat angles P-C4'-P energy: -65.286 tors. eta vs tors. theta energy: -127.810 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: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2658.770793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.770793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.770793 (E_RNA) where: Base-Base interactions energy: -1944.987 where: short stacking energy: -758.828 Base-Backbone interact. energy: -1.199 local terms energy: -712.584915 where: bonds (distance) C4'-P energy: -129.268 bonds (distance) P-C4' energy: -119.307 flat angles C4'-P-C4' energy: -143.828 flat angles P-C4'-P energy: -97.601 tors. eta vs tors. theta energy: -222.580 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: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2626.576428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.576428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.576428 (E_RNA) where: Base-Base interactions energy: -1904.651 where: short stacking energy: -731.384 Base-Backbone interact. energy: -1.280 local terms energy: -720.645236 where: bonds (distance) C4'-P energy: -128.451 bonds (distance) P-C4' energy: -134.251 flat angles C4'-P-C4' energy: -148.588 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -213.548 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: 9 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2532.696811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.696811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.696811 (E_RNA) where: Base-Base interactions energy: -1857.048 where: short stacking energy: -729.392 Base-Backbone interact. energy: -0.772 local terms energy: -674.877285 where: bonds (distance) C4'-P energy: -105.577 bonds (distance) P-C4' energy: -122.014 flat angles C4'-P-C4' energy: -143.014 flat angles P-C4'-P energy: -93.479 tors. eta vs tors. theta energy: -210.794 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: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2462.414949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.414949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.414949 (E_RNA) where: Base-Base interactions energy: -1772.366 where: short stacking energy: -689.125 Base-Backbone interact. energy: -1.096 local terms energy: -688.952885 where: bonds (distance) C4'-P energy: -120.933 bonds (distance) P-C4' energy: -124.898 flat angles C4'-P-C4' energy: -140.915 flat angles P-C4'-P energy: -96.363 tors. eta vs tors. theta energy: -205.844 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: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2423.762727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.762727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.762727 (E_RNA) where: Base-Base interactions energy: -1753.907 where: short stacking energy: -687.329 Base-Backbone interact. energy: 0.321 local terms energy: -670.177581 where: bonds (distance) C4'-P energy: -114.320 bonds (distance) P-C4' energy: -116.233 flat angles C4'-P-C4' energy: -135.983 flat angles P-C4'-P energy: -100.669 tors. eta vs tors. theta energy: -202.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2345.297125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.297125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.297125 (E_RNA) where: Base-Base interactions energy: -1700.032 where: short stacking energy: -655.923 Base-Backbone interact. energy: -0.627 local terms energy: -644.638718 where: bonds (distance) C4'-P energy: -104.997 bonds (distance) P-C4' energy: -108.837 flat angles C4'-P-C4' energy: -134.860 flat angles P-C4'-P energy: -94.496 tors. eta vs tors. theta energy: -201.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2258.729793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.729793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.729793 (E_RNA) where: Base-Base interactions energy: -1641.363 where: short stacking energy: -664.472 Base-Backbone interact. energy: 3.746 local terms energy: -621.112355 where: bonds (distance) C4'-P energy: -91.641 bonds (distance) P-C4' energy: -106.540 flat angles C4'-P-C4' energy: -127.263 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -202.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -2154.832514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.832514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.832514 (E_RNA) where: Base-Base interactions energy: -1555.946 where: short stacking energy: -604.513 Base-Backbone interact. energy: 0.167 local terms energy: -599.052553 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -102.865 flat angles C4'-P-C4' energy: -127.359 flat angles P-C4'-P energy: -83.739 tors. eta vs tors. theta energy: -177.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -2166.566341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.566341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.566341 (E_RNA) where: Base-Base interactions energy: -1574.948 where: short stacking energy: -624.109 Base-Backbone interact. energy: -0.467 local terms energy: -591.151427 where: bonds (distance) C4'-P energy: -98.508 bonds (distance) P-C4' energy: -113.411 flat angles C4'-P-C4' energy: -116.450 flat angles P-C4'-P energy: -80.779 tors. eta vs tors. theta energy: -182.003 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: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1727.764271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.764271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.764271 (E_RNA) where: Base-Base interactions energy: -1232.746 where: short stacking energy: -488.062 Base-Backbone interact. energy: 1.063 local terms energy: -496.081072 where: bonds (distance) C4'-P energy: -105.065 bonds (distance) P-C4' energy: -94.205 flat angles C4'-P-C4' energy: -95.048 flat angles P-C4'-P energy: -68.972 tors. eta vs tors. theta energy: -132.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2672.860462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.860462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.860462 (E_RNA) where: Base-Base interactions energy: -1965.176 where: short stacking energy: -753.688 Base-Backbone interact. energy: 0.012 local terms energy: -707.696117 where: bonds (distance) C4'-P energy: -121.058 bonds (distance) P-C4' energy: -118.043 flat angles C4'-P-C4' energy: -146.558 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -221.283 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: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2602.346032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.346032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.346032 (E_RNA) where: Base-Base interactions energy: -1896.872 where: short stacking energy: -732.148 Base-Backbone interact. energy: -3.975 local terms energy: -701.498942 where: bonds (distance) C4'-P energy: -118.652 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -148.963 flat angles P-C4'-P energy: -97.892 tors. eta vs tors. theta energy: -213.939 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: 3, replica: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2553.423493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.423493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.423493 (E_RNA) where: Base-Base interactions energy: -1860.043 where: short stacking energy: -726.476 Base-Backbone interact. energy: 2.043 local terms energy: -695.423586 where: bonds (distance) C4'-P energy: -118.501 bonds (distance) P-C4' energy: -113.032 flat angles C4'-P-C4' energy: -149.176 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -208.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2483.078585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.078585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.078585 (E_RNA) where: Base-Base interactions energy: -1804.334 where: short stacking energy: -707.828 Base-Backbone interact. energy: -1.296 local terms energy: -677.448437 where: bonds (distance) C4'-P energy: -121.494 bonds (distance) P-C4' energy: -102.713 flat angles C4'-P-C4' energy: -145.033 flat angles P-C4'-P energy: -102.308 tors. eta vs tors. theta energy: -205.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2398.279379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.279379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.279379 (E_RNA) where: Base-Base interactions energy: -1734.647 where: short stacking energy: -674.090 Base-Backbone interact. energy: -1.090 local terms energy: -662.542404 where: bonds (distance) C4'-P energy: -114.307 bonds (distance) P-C4' energy: -127.493 flat angles C4'-P-C4' energy: -132.637 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -196.924 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: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2332.757329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.757329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.757329 (E_RNA) where: Base-Base interactions energy: -1677.179 where: short stacking energy: -653.386 Base-Backbone interact. energy: 4.312 local terms energy: -659.890283 where: bonds (distance) C4'-P energy: -117.045 bonds (distance) P-C4' energy: -112.252 flat angles C4'-P-C4' energy: -142.047 flat angles P-C4'-P energy: -98.346 tors. eta vs tors. theta energy: -190.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2254.857533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.857533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.857533 (E_RNA) where: Base-Base interactions energy: -1630.208 where: short stacking energy: -620.743 Base-Backbone interact. energy: -1.686 local terms energy: -622.963072 where: bonds (distance) C4'-P energy: -97.271 bonds (distance) P-C4' energy: -121.808 flat angles C4'-P-C4' energy: -130.616 flat angles P-C4'-P energy: -86.339 tors. eta vs tors. theta energy: -186.929 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: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -2194.698025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.698025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.698025 (E_RNA) where: Base-Base interactions energy: -1607.568 where: short stacking energy: -618.720 Base-Backbone interact. energy: -1.188 local terms energy: -585.942867 where: bonds (distance) C4'-P energy: -106.529 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -124.532 flat angles P-C4'-P energy: -82.375 tors. eta vs tors. theta energy: -172.722 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: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -2099.678352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.678352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.678352 (E_RNA) where: Base-Base interactions energy: -1515.143 where: short stacking energy: -593.421 Base-Backbone interact. energy: -2.194 local terms energy: -582.341221 where: bonds (distance) C4'-P energy: -94.463 bonds (distance) P-C4' energy: -110.077 flat angles C4'-P-C4' energy: -127.961 flat angles P-C4'-P energy: -81.275 tors. eta vs tors. theta energy: -168.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1819.639120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.639120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.639120 (E_RNA) where: Base-Base interactions energy: -1290.952 where: short stacking energy: -510.344 Base-Backbone interact. energy: 0.594 local terms energy: -529.281244 where: bonds (distance) C4'-P energy: -93.450 bonds (distance) P-C4' energy: -88.523 flat angles C4'-P-C4' energy: -128.078 flat angles P-C4'-P energy: -76.604 tors. eta vs tors. theta energy: -142.626 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: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2683.349167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.349167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.349167 (E_RNA) where: Base-Base interactions energy: -1947.424 where: short stacking energy: -745.050 Base-Backbone interact. energy: 0.072 local terms energy: -735.997113 where: bonds (distance) C4'-P energy: -137.544 bonds (distance) P-C4' energy: -126.694 flat angles C4'-P-C4' energy: -155.736 flat angles P-C4'-P energy: -98.692 tors. eta vs tors. theta energy: -217.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2563.148398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.148398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.148398 (E_RNA) where: Base-Base interactions energy: -1862.270 where: short stacking energy: -723.053 Base-Backbone interact. energy: -2.651 local terms energy: -698.227802 where: bonds (distance) C4'-P energy: -111.703 bonds (distance) P-C4' energy: -114.978 flat angles C4'-P-C4' energy: -145.609 flat angles P-C4'-P energy: -112.591 tors. eta vs tors. theta energy: -213.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2537.577988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.577988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.577988 (E_RNA) where: Base-Base interactions energy: -1851.365 where: short stacking energy: -715.406 Base-Backbone interact. energy: -1.465 local terms energy: -684.747542 where: bonds (distance) C4'-P energy: -109.402 bonds (distance) P-C4' energy: -124.851 flat angles C4'-P-C4' energy: -143.421 flat angles P-C4'-P energy: -93.590 tors. eta vs tors. theta energy: -213.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2448.648124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.648124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.648124 (E_RNA) where: Base-Base interactions energy: -1775.169 where: short stacking energy: -700.556 Base-Backbone interact. energy: 1.089 local terms energy: -674.568228 where: bonds (distance) C4'-P energy: -109.488 bonds (distance) P-C4' energy: -130.280 flat angles C4'-P-C4' energy: -136.989 flat angles P-C4'-P energy: -92.192 tors. eta vs tors. theta energy: -205.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2424.811329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.811329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.811329 (E_RNA) where: Base-Base interactions energy: -1769.098 where: short stacking energy: -694.576 Base-Backbone interact. energy: -0.571 local terms energy: -655.142210 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -109.996 flat angles C4'-P-C4' energy: -142.942 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: -207.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2317.965930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.965930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.965930 (E_RNA) where: Base-Base interactions energy: -1691.435 where: short stacking energy: -657.156 Base-Backbone interact. energy: 0.944 local terms energy: -627.475307 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -99.681 flat angles C4'-P-C4' energy: -126.025 flat angles P-C4'-P energy: -91.087 tors. eta vs tors. theta energy: -201.264 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: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2210.685941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.685941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.685941 (E_RNA) where: Base-Base interactions energy: -1590.782 where: short stacking energy: -617.932 Base-Backbone interact. energy: 3.986 local terms energy: -623.889376 where: bonds (distance) C4'-P energy: -107.657 bonds (distance) P-C4' energy: -109.237 flat angles C4'-P-C4' energy: -139.846 flat angles P-C4'-P energy: -83.989 tors. eta vs tors. theta energy: -183.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -2154.331881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.331881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.331881 (E_RNA) where: Base-Base interactions energy: -1587.122 where: short stacking energy: -612.432 Base-Backbone interact. energy: -2.256 local terms energy: -564.954632 where: bonds (distance) C4'-P energy: -109.600 bonds (distance) P-C4' energy: -87.648 flat angles C4'-P-C4' energy: -116.350 flat angles P-C4'-P energy: -80.907 tors. eta vs tors. theta energy: -170.450 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: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -2050.273842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.273842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.273842 (E_RNA) where: Base-Base interactions energy: -1519.223 where: short stacking energy: -577.044 Base-Backbone interact. energy: -1.728 local terms energy: -529.322948 where: bonds (distance) C4'-P energy: -88.536 bonds (distance) P-C4' energy: -93.488 flat angles C4'-P-C4' energy: -113.010 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -158.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1803.057011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.057011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.057011 (E_RNA) where: Base-Base interactions energy: -1282.726 where: short stacking energy: -493.394 Base-Backbone interact. energy: -1.812 local terms energy: -518.519165 where: bonds (distance) C4'-P energy: -83.050 bonds (distance) P-C4' energy: -113.216 flat angles C4'-P-C4' energy: -119.761 flat angles P-C4'-P energy: -71.694 tors. eta vs tors. theta energy: -130.797 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: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2670.993616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.993616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.993616 (E_RNA) where: Base-Base interactions energy: -1966.947 where: short stacking energy: -762.750 Base-Backbone interact. energy: 0.757 local terms energy: -704.803422 where: bonds (distance) C4'-P energy: -115.681 bonds (distance) P-C4' energy: -127.063 flat angles C4'-P-C4' energy: -148.770 flat angles P-C4'-P energy: -90.360 tors. eta vs tors. theta energy: -222.930 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: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2572.456409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.456409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.456409 (E_RNA) where: Base-Base interactions energy: -1868.618 where: short stacking energy: -732.495 Base-Backbone interact. energy: -0.274 local terms energy: -703.564490 where: bonds (distance) C4'-P energy: -125.169 bonds (distance) P-C4' energy: -117.253 flat angles C4'-P-C4' energy: -149.115 flat angles P-C4'-P energy: -101.427 tors. eta vs tors. theta energy: -210.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2566.238945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.238945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.238945 (E_RNA) where: Base-Base interactions energy: -1881.159 where: short stacking energy: -739.460 Base-Backbone interact. energy: -0.830 local terms energy: -684.249966 where: bonds (distance) C4'-P energy: -118.916 bonds (distance) P-C4' energy: -130.297 flat angles C4'-P-C4' energy: -132.816 flat angles P-C4'-P energy: -93.059 tors. eta vs tors. theta energy: -209.163 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: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2462.598645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.598645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.598645 (E_RNA) where: Base-Base interactions energy: -1788.934 where: short stacking energy: -697.389 Base-Backbone interact. energy: -2.379 local terms energy: -671.286295 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -117.830 flat angles C4'-P-C4' energy: -137.451 flat angles P-C4'-P energy: -89.593 tors. eta vs tors. theta energy: -206.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2426.753548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.753548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.753548 (E_RNA) where: Base-Base interactions energy: -1766.747 where: short stacking energy: -704.622 Base-Backbone interact. energy: 1.236 local terms energy: -661.243049 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -94.489 flat angles C4'-P-C4' energy: -138.485 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -210.456 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: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2318.666477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.666477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.666477 (E_RNA) where: Base-Base interactions energy: -1701.580 where: short stacking energy: -679.079 Base-Backbone interact. energy: 1.628 local terms energy: -618.714445 where: bonds (distance) C4'-P energy: -90.980 bonds (distance) P-C4' energy: -108.585 flat angles C4'-P-C4' energy: -130.120 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -195.309 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: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2232.245703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.245703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.245703 (E_RNA) where: Base-Base interactions energy: -1607.026 where: short stacking energy: -613.105 Base-Backbone interact. energy: -1.904 local terms energy: -623.315791 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -122.180 flat angles C4'-P-C4' energy: -135.935 flat angles P-C4'-P energy: -81.955 tors. eta vs tors. theta energy: -190.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -2184.623828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.623828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.623828 (E_RNA) where: Base-Base interactions energy: -1568.273 where: short stacking energy: -619.009 Base-Backbone interact. energy: -1.782 local terms energy: -614.569147 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -105.641 flat angles C4'-P-C4' energy: -130.592 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -184.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -2022.464280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.464280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.464280 (E_RNA) where: Base-Base interactions energy: -1464.761 where: short stacking energy: -556.841 Base-Backbone interact. energy: -1.531 local terms energy: -556.172415 where: bonds (distance) C4'-P energy: -104.275 bonds (distance) P-C4' energy: -100.427 flat angles C4'-P-C4' energy: -132.797 flat angles P-C4'-P energy: -69.317 tors. eta vs tors. theta energy: -149.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1787.721124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.721124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.721124 (E_RNA) where: Base-Base interactions energy: -1271.194 where: short stacking energy: -506.436 Base-Backbone interact. energy: 0.835 local terms energy: -517.362127 where: bonds (distance) C4'-P energy: -77.714 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -128.261 flat angles P-C4'-P energy: -87.273 tors. eta vs tors. theta energy: -148.731 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: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2675.638046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.638046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.638046 (E_RNA) where: Base-Base interactions energy: -1959.895 where: short stacking energy: -757.854 Base-Backbone interact. energy: -0.968 local terms energy: -714.775079 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -118.771 flat angles C4'-P-C4' energy: -140.902 flat angles P-C4'-P energy: -100.743 tors. eta vs tors. theta energy: -223.727 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: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2567.058547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.058547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.058547 (E_RNA) where: Base-Base interactions energy: -1890.129 where: short stacking energy: -712.045 Base-Backbone interact. energy: -0.039 local terms energy: -676.890682 where: bonds (distance) C4'-P energy: -126.440 bonds (distance) P-C4' energy: -112.585 flat angles C4'-P-C4' energy: -139.703 flat angles P-C4'-P energy: -83.182 tors. eta vs tors. theta energy: -214.980 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: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2551.680575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.680575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.680575 (E_RNA) where: Base-Base interactions energy: -1879.089 where: short stacking energy: -733.289 Base-Backbone interact. energy: -0.932 local terms energy: -671.660056 where: bonds (distance) C4'-P energy: -120.859 bonds (distance) P-C4' energy: -107.542 flat angles C4'-P-C4' energy: -131.717 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -214.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2455.510696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.510696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.510696 (E_RNA) where: Base-Base interactions energy: -1793.648 where: short stacking energy: -710.138 Base-Backbone interact. energy: -0.347 local terms energy: -661.515750 where: bonds (distance) C4'-P energy: -111.297 bonds (distance) P-C4' energy: -116.333 flat angles C4'-P-C4' energy: -131.503 flat angles P-C4'-P energy: -111.553 tors. eta vs tors. theta energy: -190.830 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: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2479.943658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.943658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.943658 (E_RNA) where: Base-Base interactions energy: -1806.383 where: short stacking energy: -707.619 Base-Backbone interact. energy: -1.587 local terms energy: -671.973407 where: bonds (distance) C4'-P energy: -117.892 bonds (distance) P-C4' energy: -107.491 flat angles C4'-P-C4' energy: -137.631 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -214.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2367.467533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.467533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.467533 (E_RNA) where: Base-Base interactions energy: -1715.205 where: short stacking energy: -679.512 Base-Backbone interact. energy: -1.705 local terms energy: -650.557640 where: bonds (distance) C4'-P energy: -101.213 bonds (distance) P-C4' energy: -124.256 flat angles C4'-P-C4' energy: -134.717 flat angles P-C4'-P energy: -91.638 tors. eta vs tors. theta energy: -198.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2244.033990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.033990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.033990 (E_RNA) where: Base-Base interactions energy: -1632.325 where: short stacking energy: -635.374 Base-Backbone interact. energy: -0.239 local terms energy: -611.470042 where: bonds (distance) C4'-P energy: -117.862 bonds (distance) P-C4' energy: -80.216 flat angles C4'-P-C4' energy: -143.555 flat angles P-C4'-P energy: -84.692 tors. eta vs tors. theta energy: -185.145 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: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -2162.050576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.050576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.050576 (E_RNA) where: Base-Base interactions energy: -1594.029 where: short stacking energy: -609.976 Base-Backbone interact. energy: -0.699 local terms energy: -567.322044 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -105.508 flat angles C4'-P-C4' energy: -121.296 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -168.174 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: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1979.527107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.527107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.527107 (E_RNA) where: Base-Base interactions energy: -1421.639 where: short stacking energy: -546.219 Base-Backbone interact. energy: -2.350 local terms energy: -555.538029 where: bonds (distance) C4'-P energy: -72.768 bonds (distance) P-C4' energy: -112.323 flat angles C4'-P-C4' energy: -131.499 flat angles P-C4'-P energy: -80.861 tors. eta vs tors. theta energy: -158.088 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: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1740.722633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.722633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.722633 (E_RNA) where: Base-Base interactions energy: -1228.047 where: short stacking energy: -494.103 Base-Backbone interact. energy: 1.394 local terms energy: -514.069127 where: bonds (distance) C4'-P energy: -102.521 bonds (distance) P-C4' energy: -90.518 flat angles C4'-P-C4' energy: -122.970 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: -142.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2647.221831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.221831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.221831 (E_RNA) where: Base-Base interactions energy: -1939.286 where: short stacking energy: -738.892 Base-Backbone interact. energy: -0.830 local terms energy: -707.105718 where: bonds (distance) C4'-P energy: -115.954 bonds (distance) P-C4' energy: -126.564 flat angles C4'-P-C4' energy: -143.930 flat angles P-C4'-P energy: -101.868 tors. eta vs tors. theta energy: -218.790 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: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2608.553857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.553857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.553857 (E_RNA) where: Base-Base interactions energy: -1900.932 where: short stacking energy: -722.394 Base-Backbone interact. energy: -0.729 local terms energy: -706.892970 where: bonds (distance) C4'-P energy: -116.092 bonds (distance) P-C4' energy: -120.791 flat angles C4'-P-C4' energy: -151.935 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -207.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2551.696476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.696476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.696476 (E_RNA) where: Base-Base interactions energy: -1854.093 where: short stacking energy: -717.012 Base-Backbone interact. energy: -1.303 local terms energy: -696.300390 where: bonds (distance) C4'-P energy: -123.254 bonds (distance) P-C4' energy: -118.836 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -93.875 tors. eta vs tors. theta energy: -215.909 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: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2476.340972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.340972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.340972 (E_RNA) where: Base-Base interactions energy: -1803.059 where: short stacking energy: -702.900 Base-Backbone interact. energy: 0.849 local terms energy: -674.131258 where: bonds (distance) C4'-P energy: -112.805 bonds (distance) P-C4' energy: -117.549 flat angles C4'-P-C4' energy: -149.015 flat angles P-C4'-P energy: -94.361 tors. eta vs tors. theta energy: -200.401 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: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2422.748368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.748368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.748368 (E_RNA) where: Base-Base interactions energy: -1756.126 where: short stacking energy: -690.761 Base-Backbone interact. energy: -2.986 local terms energy: -663.636252 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -113.900 flat angles C4'-P-C4' energy: -144.686 flat angles P-C4'-P energy: -91.174 tors. eta vs tors. theta energy: -210.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2365.271247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.271247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.271247 (E_RNA) where: Base-Base interactions energy: -1742.692 where: short stacking energy: -674.280 Base-Backbone interact. energy: -0.952 local terms energy: -621.626981 where: bonds (distance) C4'-P energy: -96.130 bonds (distance) P-C4' energy: -85.670 flat angles C4'-P-C4' energy: -139.761 flat angles P-C4'-P energy: -104.985 tors. eta vs tors. theta energy: -195.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2245.642803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.642803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.642803 (E_RNA) where: Base-Base interactions energy: -1632.552 where: short stacking energy: -644.304 Base-Backbone interact. energy: 1.601 local terms energy: -614.691312 where: bonds (distance) C4'-P energy: -97.279 bonds (distance) P-C4' energy: -104.028 flat angles C4'-P-C4' energy: -129.209 flat angles P-C4'-P energy: -91.012 tors. eta vs tors. theta energy: -193.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2205.218099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.218099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.218099 (E_RNA) where: Base-Base interactions energy: -1639.694 where: short stacking energy: -621.630 Base-Backbone interact. energy: 1.508 local terms energy: -567.032982 where: bonds (distance) C4'-P energy: -87.015 bonds (distance) P-C4' energy: -99.897 flat angles C4'-P-C4' energy: -130.514 flat angles P-C4'-P energy: -67.381 tors. eta vs tors. theta energy: -182.226 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: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1992.945732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.945732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.945732 (E_RNA) where: Base-Base interactions energy: -1460.525 where: short stacking energy: -561.605 Base-Backbone interact. energy: 1.221 local terms energy: -533.641630 where: bonds (distance) C4'-P energy: -93.429 bonds (distance) P-C4' energy: -95.979 flat angles C4'-P-C4' energy: -116.490 flat angles P-C4'-P energy: -64.148 tors. eta vs tors. theta energy: -163.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1751.792704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.792704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.792704 (E_RNA) where: Base-Base interactions energy: -1273.707 where: short stacking energy: -510.586 Base-Backbone interact. energy: 1.818 local terms energy: -479.903599 where: bonds (distance) C4'-P energy: -79.338 bonds (distance) P-C4' energy: -83.548 flat angles C4'-P-C4' energy: -107.051 flat angles P-C4'-P energy: -72.533 tors. eta vs tors. theta energy: -137.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2648.918603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.918603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.918603 (E_RNA) where: Base-Base interactions energy: -1928.514 where: short stacking energy: -749.095 Base-Backbone interact. energy: -2.224 local terms energy: -718.181063 where: bonds (distance) C4'-P energy: -115.666 bonds (distance) P-C4' energy: -124.245 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -108.229 tors. eta vs tors. theta energy: -224.901 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: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2579.477436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.477436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.477436 (E_RNA) where: Base-Base interactions energy: -1894.950 where: short stacking energy: -744.050 Base-Backbone interact. energy: -0.300 local terms energy: -684.227003 where: bonds (distance) C4'-P energy: -114.271 bonds (distance) P-C4' energy: -111.471 flat angles C4'-P-C4' energy: -146.004 flat angles P-C4'-P energy: -102.391 tors. eta vs tors. theta energy: -210.090 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: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2528.519883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.519883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.519883 (E_RNA) where: Base-Base interactions energy: -1855.004 where: short stacking energy: -688.436 Base-Backbone interact. energy: 0.156 local terms energy: -673.671963 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -118.114 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -98.427 tors. eta vs tors. theta energy: -200.930 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: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2459.346270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.346270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.346270 (E_RNA) where: Base-Base interactions energy: -1788.037 where: short stacking energy: -703.976 Base-Backbone interact. energy: -0.878 local terms energy: -670.431147 where: bonds (distance) C4'-P energy: -125.143 bonds (distance) P-C4' energy: -115.761 flat angles C4'-P-C4' energy: -130.030 flat angles P-C4'-P energy: -90.963 tors. eta vs tors. theta energy: -208.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2463.103899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.103899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.103899 (E_RNA) where: Base-Base interactions energy: -1792.392 where: short stacking energy: -691.083 Base-Backbone interact. energy: -1.554 local terms energy: -669.158520 where: bonds (distance) C4'-P energy: -102.727 bonds (distance) P-C4' energy: -115.321 flat angles C4'-P-C4' energy: -138.526 flat angles P-C4'-P energy: -100.870 tors. eta vs tors. theta energy: -211.713 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: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2341.223575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.223575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.223575 (E_RNA) where: Base-Base interactions energy: -1719.306 where: short stacking energy: -670.688 Base-Backbone interact. energy: -2.266 local terms energy: -619.651392 where: bonds (distance) C4'-P energy: -97.177 bonds (distance) P-C4' energy: -100.904 flat angles C4'-P-C4' energy: -139.098 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -197.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2265.829256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.829256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.829256 (E_RNA) where: Base-Base interactions energy: -1644.630 where: short stacking energy: -640.259 Base-Backbone interact. energy: 2.343 local terms energy: -623.542583 where: bonds (distance) C4'-P energy: -91.245 bonds (distance) P-C4' energy: -118.299 flat angles C4'-P-C4' energy: -126.934 flat angles P-C4'-P energy: -99.571 tors. eta vs tors. theta energy: -187.494 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: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -2213.571340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.571340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.571340 (E_RNA) where: Base-Base interactions energy: -1602.987 where: short stacking energy: -624.394 Base-Backbone interact. energy: -0.143 local terms energy: -610.440700 where: bonds (distance) C4'-P energy: -103.406 bonds (distance) P-C4' energy: -107.781 flat angles C4'-P-C4' energy: -123.285 flat angles P-C4'-P energy: -84.955 tors. eta vs tors. theta energy: -191.014 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: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -2023.724780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.724780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.724780 (E_RNA) where: Base-Base interactions energy: -1465.735 where: short stacking energy: -540.837 Base-Backbone interact. energy: 4.489 local terms energy: -562.479093 where: bonds (distance) C4'-P energy: -112.482 bonds (distance) P-C4' energy: -86.885 flat angles C4'-P-C4' energy: -114.440 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -154.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1684.428547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.428547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.428547 (E_RNA) where: Base-Base interactions energy: -1189.919 where: short stacking energy: -487.930 Base-Backbone interact. energy: -2.447 local terms energy: -492.062701 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -94.035 flat angles C4'-P-C4' energy: -115.936 flat angles P-C4'-P energy: -70.333 tors. eta vs tors. theta energy: -121.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2651.326451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.326451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.326451 (E_RNA) where: Base-Base interactions energy: -1939.582 where: short stacking energy: -741.193 Base-Backbone interact. energy: -1.141 local terms energy: -710.603252 where: bonds (distance) C4'-P energy: -118.879 bonds (distance) P-C4' energy: -129.562 flat angles C4'-P-C4' energy: -144.347 flat angles P-C4'-P energy: -101.326 tors. eta vs tors. theta energy: -216.490 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: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2591.308131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.308131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.308131 (E_RNA) where: Base-Base interactions energy: -1887.598 where: short stacking energy: -742.659 Base-Backbone interact. energy: -1.528 local terms energy: -702.181835 where: bonds (distance) C4'-P energy: -126.660 bonds (distance) P-C4' energy: -117.264 flat angles C4'-P-C4' energy: -143.549 flat angles P-C4'-P energy: -105.442 tors. eta vs tors. theta energy: -209.267 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: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2537.089326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.089326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.089326 (E_RNA) where: Base-Base interactions energy: -1862.198 where: short stacking energy: -708.968 Base-Backbone interact. energy: -3.175 local terms energy: -671.715963 where: bonds (distance) C4'-P energy: -110.844 bonds (distance) P-C4' energy: -116.458 flat angles C4'-P-C4' energy: -140.026 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -202.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2464.155849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.155849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.155849 (E_RNA) where: Base-Base interactions energy: -1790.912 where: short stacking energy: -703.789 Base-Backbone interact. energy: -1.008 local terms energy: -672.236343 where: bonds (distance) C4'-P energy: -100.607 bonds (distance) P-C4' energy: -121.640 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -91.906 tors. eta vs tors. theta energy: -213.798 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: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2433.201170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.201170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.201170 (E_RNA) where: Base-Base interactions energy: -1795.373 where: short stacking energy: -705.067 Base-Backbone interact. energy: 5.968 local terms energy: -643.795941 where: bonds (distance) C4'-P energy: -91.199 bonds (distance) P-C4' energy: -107.685 flat angles C4'-P-C4' energy: -133.694 flat angles P-C4'-P energy: -96.663 tors. eta vs tors. theta energy: -214.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2341.139354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.139354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.139354 (E_RNA) where: Base-Base interactions energy: -1714.992 where: short stacking energy: -667.619 Base-Backbone interact. energy: -0.483 local terms energy: -625.664046 where: bonds (distance) C4'-P energy: -87.560 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -135.640 flat angles P-C4'-P energy: -80.240 tors. eta vs tors. theta energy: -202.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2261.628172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.628172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.628172 (E_RNA) where: Base-Base interactions energy: -1657.560 where: short stacking energy: -651.820 Base-Backbone interact. energy: -2.617 local terms energy: -601.451069 where: bonds (distance) C4'-P energy: -99.388 bonds (distance) P-C4' energy: -95.255 flat angles C4'-P-C4' energy: -133.665 flat angles P-C4'-P energy: -81.360 tors. eta vs tors. theta energy: -191.783 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: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -2225.657499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.657499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.657499 (E_RNA) where: Base-Base interactions energy: -1604.104 where: short stacking energy: -582.332 Base-Backbone interact. energy: 3.789 local terms energy: -625.342857 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -112.312 flat angles C4'-P-C4' energy: -140.380 flat angles P-C4'-P energy: -91.023 tors. eta vs tors. theta energy: -184.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1987.761224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.761224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.761224 (E_RNA) where: Base-Base interactions energy: -1450.359 where: short stacking energy: -555.064 Base-Backbone interact. energy: 2.371 local terms energy: -539.773223 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -91.814 flat angles C4'-P-C4' energy: -127.524 flat angles P-C4'-P energy: -77.238 tors. eta vs tors. theta energy: -156.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1678.932698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.932698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.932698 (E_RNA) where: Base-Base interactions energy: -1166.967 where: short stacking energy: -458.936 Base-Backbone interact. energy: 1.790 local terms energy: -513.755965 where: bonds (distance) C4'-P energy: -94.543 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -111.078 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -127.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2657.540518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.540518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.540518 (E_RNA) where: Base-Base interactions energy: -1940.111 where: short stacking energy: -749.739 Base-Backbone interact. energy: 5.394 local terms energy: -722.823149 where: bonds (distance) C4'-P energy: -137.277 bonds (distance) P-C4' energy: -122.814 flat angles C4'-P-C4' energy: -136.640 flat angles P-C4'-P energy: -113.460 tors. eta vs tors. theta energy: -212.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2586.346595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.346595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.346595 (E_RNA) where: Base-Base interactions energy: -1882.775 where: short stacking energy: -733.177 Base-Backbone interact. energy: -2.861 local terms energy: -700.710326 where: bonds (distance) C4'-P energy: -120.628 bonds (distance) P-C4' energy: -113.295 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -106.421 tors. eta vs tors. theta energy: -213.495 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: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2544.153949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.153949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.153949 (E_RNA) where: Base-Base interactions energy: -1863.465 where: short stacking energy: -717.652 Base-Backbone interact. energy: -2.062 local terms energy: -678.626636 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -108.852 flat angles C4'-P-C4' energy: -146.513 flat angles P-C4'-P energy: -92.556 tors. eta vs tors. theta energy: -215.261 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: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2445.078853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.078853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.078853 (E_RNA) where: Base-Base interactions energy: -1770.209 where: short stacking energy: -673.973 Base-Backbone interact. energy: -0.593 local terms energy: -674.276720 where: bonds (distance) C4'-P energy: -120.401 bonds (distance) P-C4' energy: -124.602 flat angles C4'-P-C4' energy: -135.365 flat angles P-C4'-P energy: -95.376 tors. eta vs tors. theta energy: -198.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2353.914957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.914957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.914957 (E_RNA) where: Base-Base interactions energy: -1710.084 where: short stacking energy: -677.602 Base-Backbone interact. energy: -1.130 local terms energy: -642.700084 where: bonds (distance) C4'-P energy: -120.139 bonds (distance) P-C4' energy: -104.821 flat angles C4'-P-C4' energy: -130.406 flat angles P-C4'-P energy: -84.209 tors. eta vs tors. theta energy: -203.125 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: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2391.983028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.983028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.983028 (E_RNA) where: Base-Base interactions energy: -1749.297 where: short stacking energy: -670.712 Base-Backbone interact. energy: -0.788 local terms energy: -641.898798 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -97.073 flat angles C4'-P-C4' energy: -145.205 flat angles P-C4'-P energy: -90.321 tors. eta vs tors. theta energy: -204.726 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: 7, replica: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2284.784866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.784866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.784866 (E_RNA) where: Base-Base interactions energy: -1668.645 where: short stacking energy: -648.973 Base-Backbone interact. energy: 2.103 local terms energy: -618.242168 where: bonds (distance) C4'-P energy: -117.941 bonds (distance) P-C4' energy: -90.113 flat angles C4'-P-C4' energy: -142.551 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -184.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -2242.197276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.197276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.197276 (E_RNA) where: Base-Base interactions energy: -1620.125 where: short stacking energy: -628.983 Base-Backbone interact. energy: -0.364 local terms energy: -621.708662 where: bonds (distance) C4'-P energy: -100.465 bonds (distance) P-C4' energy: -109.549 flat angles C4'-P-C4' energy: -139.136 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -186.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1936.693926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.693926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.693926 (E_RNA) where: Base-Base interactions energy: -1407.204 where: short stacking energy: -552.989 Base-Backbone interact. energy: 1.659 local terms energy: -531.148314 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -101.124 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -72.203 tors. eta vs tors. theta energy: -147.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1577.716705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.716705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.716705 (E_RNA) where: Base-Base interactions energy: -1110.910 where: short stacking energy: -432.879 Base-Backbone interact. energy: -1.553 local terms energy: -465.254155 where: bonds (distance) C4'-P energy: -96.985 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -116.099 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: -94.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2658.226369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.226369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.226369 (E_RNA) where: Base-Base interactions energy: -1935.261 where: short stacking energy: -751.025 Base-Backbone interact. energy: 0.093 local terms energy: -723.058776 where: bonds (distance) C4'-P energy: -114.257 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -149.223 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -218.956 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: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2566.434897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.434897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.434897 (E_RNA) where: Base-Base interactions energy: -1871.505 where: short stacking energy: -718.400 Base-Backbone interact. energy: -2.783 local terms energy: -692.146440 where: bonds (distance) C4'-P energy: -123.379 bonds (distance) P-C4' energy: -105.956 flat angles C4'-P-C4' energy: -146.681 flat angles P-C4'-P energy: -109.763 tors. eta vs tors. theta energy: -206.368 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: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2543.233308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.233308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.233308 (E_RNA) where: Base-Base interactions energy: -1849.282 where: short stacking energy: -712.563 Base-Backbone interact. energy: -0.527 local terms energy: -693.424334 where: bonds (distance) C4'-P energy: -125.898 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -148.726 flat angles P-C4'-P energy: -100.887 tors. eta vs tors. theta energy: -203.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2461.150778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.150778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.150778 (E_RNA) where: Base-Base interactions energy: -1775.122 where: short stacking energy: -719.843 Base-Backbone interact. energy: -2.449 local terms energy: -683.579901 where: bonds (distance) C4'-P energy: -106.356 bonds (distance) P-C4' energy: -143.464 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -91.936 tors. eta vs tors. theta energy: -202.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2352.497863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.497863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.497863 (E_RNA) where: Base-Base interactions energy: -1677.877 where: short stacking energy: -659.808 Base-Backbone interact. energy: -0.847 local terms energy: -673.773756 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -128.734 flat angles C4'-P-C4' energy: -136.736 flat angles P-C4'-P energy: -93.080 tors. eta vs tors. theta energy: -198.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2413.164762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.164762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.164762 (E_RNA) where: Base-Base interactions energy: -1778.514 where: short stacking energy: -689.574 Base-Backbone interact. energy: -0.220 local terms energy: -634.430809 where: bonds (distance) C4'-P energy: -102.002 bonds (distance) P-C4' energy: -97.077 flat angles C4'-P-C4' energy: -140.741 flat angles P-C4'-P energy: -91.185 tors. eta vs tors. theta energy: -203.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2283.817461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.817461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.817461 (E_RNA) where: Base-Base interactions energy: -1675.563 where: short stacking energy: -657.441 Base-Backbone interact. energy: 2.222 local terms energy: -610.476023 where: bonds (distance) C4'-P energy: -93.377 bonds (distance) P-C4' energy: -127.731 flat angles C4'-P-C4' energy: -123.730 flat angles P-C4'-P energy: -82.026 tors. eta vs tors. theta energy: -183.612 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: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -2188.199031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.199031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.199031 (E_RNA) where: Base-Base interactions energy: -1597.666 where: short stacking energy: -590.910 Base-Backbone interact. energy: -0.513 local terms energy: -590.019985 where: bonds (distance) C4'-P energy: -89.926 bonds (distance) P-C4' energy: -120.027 flat angles C4'-P-C4' energy: -134.191 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: -176.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1975.274285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.274285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.274285 (E_RNA) where: Base-Base interactions energy: -1433.944 where: short stacking energy: -559.529 Base-Backbone interact. energy: 2.396 local terms energy: -543.726703 where: bonds (distance) C4'-P energy: -87.258 bonds (distance) P-C4' energy: -86.786 flat angles C4'-P-C4' energy: -123.467 flat angles P-C4'-P energy: -83.000 tors. eta vs tors. theta energy: -163.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1659.297898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.297898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.297898 (E_RNA) where: Base-Base interactions energy: -1190.052 where: short stacking energy: -460.735 Base-Backbone interact. energy: 3.174 local terms energy: -472.419633 where: bonds (distance) C4'-P energy: -77.394 bonds (distance) P-C4' energy: -96.317 flat angles C4'-P-C4' energy: -114.746 flat angles P-C4'-P energy: -72.329 tors. eta vs tors. theta energy: -111.635 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: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2675.295916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.295916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.295916 (E_RNA) where: Base-Base interactions energy: -1945.892 where: short stacking energy: -763.344 Base-Backbone interact. energy: -2.289 local terms energy: -727.114609 where: bonds (distance) C4'-P energy: -122.005 bonds (distance) P-C4' energy: -125.597 flat angles C4'-P-C4' energy: -150.782 flat angles P-C4'-P energy: -103.961 tors. eta vs tors. theta energy: -224.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2610.348220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.348220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.348220 (E_RNA) where: Base-Base interactions energy: -1899.659 where: short stacking energy: -742.846 Base-Backbone interact. energy: 6.010 local terms energy: -716.699811 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -124.700 flat angles C4'-P-C4' energy: -137.949 flat angles P-C4'-P energy: -99.761 tors. eta vs tors. theta energy: -225.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2544.918029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.918029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.918029 (E_RNA) where: Base-Base interactions energy: -1851.874 where: short stacking energy: -726.764 Base-Backbone interact. energy: -3.123 local terms energy: -689.920825 where: bonds (distance) C4'-P energy: -105.492 bonds (distance) P-C4' energy: -107.666 flat angles C4'-P-C4' energy: -150.131 flat angles P-C4'-P energy: -110.832 tors. eta vs tors. theta energy: -215.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2476.365722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.365722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.365722 (E_RNA) where: Base-Base interactions energy: -1800.130 where: short stacking energy: -718.185 Base-Backbone interact. energy: -1.421 local terms energy: -674.813997 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -104.844 flat angles C4'-P-C4' energy: -143.859 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -211.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2434.275092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.275092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.275092 (E_RNA) where: Base-Base interactions energy: -1793.155 where: short stacking energy: -685.466 Base-Backbone interact. energy: 2.294 local terms energy: -643.414244 where: bonds (distance) C4'-P energy: -91.276 bonds (distance) P-C4' energy: -115.319 flat angles C4'-P-C4' energy: -137.326 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -206.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2352.068560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.068560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.068560 (E_RNA) where: Base-Base interactions energy: -1740.584 where: short stacking energy: -677.813 Base-Backbone interact. energy: -0.940 local terms energy: -610.545033 where: bonds (distance) C4'-P energy: -88.281 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -127.795 flat angles P-C4'-P energy: -91.139 tors. eta vs tors. theta energy: -194.851 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: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2301.879953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.879953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.879953 (E_RNA) where: Base-Base interactions energy: -1680.010 where: short stacking energy: -641.653 Base-Backbone interact. energy: -2.705 local terms energy: -619.164485 where: bonds (distance) C4'-P energy: -95.880 bonds (distance) P-C4' energy: -109.806 flat angles C4'-P-C4' energy: -134.876 flat angles P-C4'-P energy: -90.013 tors. eta vs tors. theta energy: -188.589 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: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -2191.249351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.249351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.249351 (E_RNA) where: Base-Base interactions energy: -1625.584 where: short stacking energy: -620.024 Base-Backbone interact. energy: 5.650 local terms energy: -571.314433 where: bonds (distance) C4'-P energy: -96.112 bonds (distance) P-C4' energy: -99.818 flat angles C4'-P-C4' energy: -118.778 flat angles P-C4'-P energy: -73.547 tors. eta vs tors. theta energy: -183.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -2005.734977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.734977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.734977 (E_RNA) where: Base-Base interactions energy: -1436.469 where: short stacking energy: -538.862 Base-Backbone interact. energy: -0.787 local terms energy: -568.478481 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -104.750 flat angles C4'-P-C4' energy: -126.678 flat angles P-C4'-P energy: -80.530 tors. eta vs tors. theta energy: -159.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1692.319967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.319967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.319967 (E_RNA) where: Base-Base interactions energy: -1204.794 where: short stacking energy: -508.858 Base-Backbone interact. energy: -1.787 local terms energy: -485.739289 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -97.440 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -62.768 tors. eta vs tors. theta energy: -143.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2679.539842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.539842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.539842 (E_RNA) where: Base-Base interactions energy: -1952.724 where: short stacking energy: -756.304 Base-Backbone interact. energy: -0.625 local terms energy: -726.191264 where: bonds (distance) C4'-P energy: -120.233 bonds (distance) P-C4' energy: -127.567 flat angles C4'-P-C4' energy: -152.539 flat angles P-C4'-P energy: -102.178 tors. eta vs tors. theta energy: -223.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2626.938803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.938803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.938803 (E_RNA) where: Base-Base interactions energy: -1940.363 where: short stacking energy: -749.583 Base-Backbone interact. energy: -0.097 local terms energy: -686.478857 where: bonds (distance) C4'-P energy: -105.413 bonds (distance) P-C4' energy: -135.144 flat angles C4'-P-C4' energy: -142.256 flat angles P-C4'-P energy: -85.918 tors. eta vs tors. theta energy: -217.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2542.717442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.717442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.717442 (E_RNA) where: Base-Base interactions energy: -1833.159 where: short stacking energy: -712.537 Base-Backbone interact. energy: -0.797 local terms energy: -708.761230 where: bonds (distance) C4'-P energy: -118.891 bonds (distance) P-C4' energy: -113.018 flat angles C4'-P-C4' energy: -154.810 flat angles P-C4'-P energy: -113.835 tors. eta vs tors. theta energy: -208.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2485.026017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.026017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.026017 (E_RNA) where: Base-Base interactions energy: -1794.516 where: short stacking energy: -719.531 Base-Backbone interact. energy: -1.210 local terms energy: -689.299559 where: bonds (distance) C4'-P energy: -112.728 bonds (distance) P-C4' energy: -122.857 flat angles C4'-P-C4' energy: -149.196 flat angles P-C4'-P energy: -88.197 tors. eta vs tors. theta energy: -216.322 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: 235 Temperature: 1.100000 Total energy: -2428.307339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.307339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.307339 (E_RNA) where: Base-Base interactions energy: -1754.310 where: short stacking energy: -692.115 Base-Backbone interact. energy: -0.158 local terms energy: -673.839208 where: bonds (distance) C4'-P energy: -105.439 bonds (distance) P-C4' energy: -125.395 flat angles C4'-P-C4' energy: -144.343 flat angles P-C4'-P energy: -93.656 tors. eta vs tors. theta energy: -205.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2323.575183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.575183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.575183 (E_RNA) where: Base-Base interactions energy: -1683.102 where: short stacking energy: -649.366 Base-Backbone interact. energy: -1.710 local terms energy: -638.764043 where: bonds (distance) C4'-P energy: -98.750 bonds (distance) P-C4' energy: -113.916 flat angles C4'-P-C4' energy: -130.061 flat angles P-C4'-P energy: -100.967 tors. eta vs tors. theta energy: -195.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2284.072974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.072974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.072974 (E_RNA) where: Base-Base interactions energy: -1662.947 where: short stacking energy: -652.729 Base-Backbone interact. energy: -0.450 local terms energy: -620.675982 where: bonds (distance) C4'-P energy: -115.437 bonds (distance) P-C4' energy: -93.568 flat angles C4'-P-C4' energy: -137.971 flat angles P-C4'-P energy: -88.343 tors. eta vs tors. theta energy: -185.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -2214.192302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.192302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.192302 (E_RNA) where: Base-Base interactions energy: -1623.711 where: short stacking energy: -643.515 Base-Backbone interact. energy: -1.401 local terms energy: -589.080304 where: bonds (distance) C4'-P energy: -109.601 bonds (distance) P-C4' energy: -103.892 flat angles C4'-P-C4' energy: -108.461 flat angles P-C4'-P energy: -88.287 tors. eta vs tors. theta energy: -178.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1996.995893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.995893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.995893 (E_RNA) where: Base-Base interactions energy: -1443.311 where: short stacking energy: -566.836 Base-Backbone interact. energy: 3.366 local terms energy: -557.051151 where: bonds (distance) C4'-P energy: -93.564 bonds (distance) P-C4' energy: -107.451 flat angles C4'-P-C4' energy: -119.655 flat angles P-C4'-P energy: -71.952 tors. eta vs tors. theta energy: -164.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1667.180076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.180076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.180076 (E_RNA) where: Base-Base interactions energy: -1143.066 where: short stacking energy: -464.616 Base-Backbone interact. energy: -1.949 local terms energy: -522.164970 where: bonds (distance) C4'-P energy: -102.423 bonds (distance) P-C4' energy: -95.702 flat angles C4'-P-C4' energy: -107.893 flat angles P-C4'-P energy: -86.915 tors. eta vs tors. theta energy: -129.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2663.193296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.193296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.193296 (E_RNA) where: Base-Base interactions energy: -1924.432 where: short stacking energy: -743.088 Base-Backbone interact. energy: -1.385 local terms energy: -737.376433 where: bonds (distance) C4'-P energy: -131.574 bonds (distance) P-C4' energy: -128.578 flat angles C4'-P-C4' energy: -153.557 flat angles P-C4'-P energy: -112.556 tors. eta vs tors. theta energy: -211.111 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: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2613.981996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.981996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.981996 (E_RNA) where: Base-Base interactions energy: -1906.540 where: short stacking energy: -744.016 Base-Backbone interact. energy: 4.232 local terms energy: -711.674139 where: bonds (distance) C4'-P energy: -112.060 bonds (distance) P-C4' energy: -130.209 flat angles C4'-P-C4' energy: -141.414 flat angles P-C4'-P energy: -108.017 tors. eta vs tors. theta energy: -219.974 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2561.991121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.991121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.991121 (E_RNA) where: Base-Base interactions energy: -1876.467 where: short stacking energy: -723.904 Base-Backbone interact. energy: 2.031 local terms energy: -687.554695 where: bonds (distance) C4'-P energy: -118.191 bonds (distance) P-C4' energy: -119.755 flat angles C4'-P-C4' energy: -145.388 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: -208.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2483.306592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.306592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.306592 (E_RNA) where: Base-Base interactions energy: -1785.251 where: short stacking energy: -697.953 Base-Backbone interact. energy: -1.360 local terms energy: -696.696171 where: bonds (distance) C4'-P energy: -127.231 bonds (distance) P-C4' energy: -130.885 flat angles C4'-P-C4' energy: -133.341 flat angles P-C4'-P energy: -91.517 tors. eta vs tors. theta energy: -213.722 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: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2416.576554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.576554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.576554 (E_RNA) where: Base-Base interactions energy: -1765.051 where: short stacking energy: -668.163 Base-Backbone interact. energy: 0.118 local terms energy: -651.643871 where: bonds (distance) C4'-P energy: -105.149 bonds (distance) P-C4' energy: -121.754 flat angles C4'-P-C4' energy: -137.546 flat angles P-C4'-P energy: -94.447 tors. eta vs tors. theta energy: -192.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2305.790610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.790610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.790610 (E_RNA) where: Base-Base interactions energy: -1680.133 where: short stacking energy: -642.674 Base-Backbone interact. energy: -0.670 local terms energy: -624.987702 where: bonds (distance) C4'-P energy: -113.428 bonds (distance) P-C4' energy: -91.763 flat angles C4'-P-C4' energy: -136.024 flat angles P-C4'-P energy: -95.815 tors. eta vs tors. theta energy: -187.957 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: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2286.430699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.430699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.430699 (E_RNA) where: Base-Base interactions energy: -1669.727 where: short stacking energy: -654.132 Base-Backbone interact. energy: -0.544 local terms energy: -616.160254 where: bonds (distance) C4'-P energy: -99.709 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -138.157 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -191.020 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: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -2153.801166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.801166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.801166 (E_RNA) where: Base-Base interactions energy: -1580.352 where: short stacking energy: -609.562 Base-Backbone interact. energy: -2.720 local terms energy: -570.728325 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -86.423 flat angles C4'-P-C4' energy: -129.610 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -187.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -2005.544691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.544691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.544691 (E_RNA) where: Base-Base interactions energy: -1484.561 where: short stacking energy: -565.981 Base-Backbone interact. energy: -0.766 local terms energy: -520.218062 where: bonds (distance) C4'-P energy: -91.420 bonds (distance) P-C4' energy: -106.435 flat angles C4'-P-C4' energy: -98.729 flat angles P-C4'-P energy: -70.926 tors. eta vs tors. theta energy: -152.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1708.170425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.170425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.170425 (E_RNA) where: Base-Base interactions energy: -1217.121 where: short stacking energy: -507.192 Base-Backbone interact. energy: -0.501 local terms energy: -490.547638 where: bonds (distance) C4'-P energy: -100.017 bonds (distance) P-C4' energy: -92.944 flat angles C4'-P-C4' energy: -104.618 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -129.108 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: 237 Temperature: 0.900000 Total energy: -2673.277560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.277560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.277560 (E_RNA) where: Base-Base interactions energy: -1952.980 where: short stacking energy: -764.549 Base-Backbone interact. energy: -2.154 local terms energy: -718.143534 where: bonds (distance) C4'-P energy: -121.944 bonds (distance) P-C4' energy: -125.751 flat angles C4'-P-C4' energy: -145.650 flat angles P-C4'-P energy: -103.441 tors. eta vs tors. theta energy: -221.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2605.617395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.617395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.617395 (E_RNA) where: Base-Base interactions energy: -1893.030 where: short stacking energy: -720.269 Base-Backbone interact. energy: -2.314 local terms energy: -710.274203 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -122.402 flat angles C4'-P-C4' energy: -144.801 flat angles P-C4'-P energy: -100.117 tors. eta vs tors. theta energy: -212.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2554.607384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.607384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.607384 (E_RNA) where: Base-Base interactions energy: -1866.320 where: short stacking energy: -693.792 Base-Backbone interact. energy: 0.657 local terms energy: -688.945076 where: bonds (distance) C4'-P energy: -114.360 bonds (distance) P-C4' energy: -118.378 flat angles C4'-P-C4' energy: -147.478 flat angles P-C4'-P energy: -99.118 tors. eta vs tors. theta energy: -209.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2445.102507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.102507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.102507 (E_RNA) where: Base-Base interactions energy: -1792.219 where: short stacking energy: -680.604 Base-Backbone interact. energy: 2.340 local terms energy: -655.223538 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -102.264 flat angles C4'-P-C4' energy: -140.343 flat angles P-C4'-P energy: -96.948 tors. eta vs tors. theta energy: -199.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2405.827119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.827119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.827119 (E_RNA) where: Base-Base interactions energy: -1757.837 where: short stacking energy: -689.655 Base-Backbone interact. energy: -0.466 local terms energy: -647.524387 where: bonds (distance) C4'-P energy: -106.359 bonds (distance) P-C4' energy: -98.845 flat angles C4'-P-C4' energy: -134.286 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -206.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2319.666660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.666660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.666660 (E_RNA) where: Base-Base interactions energy: -1691.614 where: short stacking energy: -655.436 Base-Backbone interact. energy: 0.513 local terms energy: -628.565650 where: bonds (distance) C4'-P energy: -100.931 bonds (distance) P-C4' energy: -115.149 flat angles C4'-P-C4' energy: -127.894 flat angles P-C4'-P energy: -90.741 tors. eta vs tors. theta energy: -193.851 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: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2208.394820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.394820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.394820 (E_RNA) where: Base-Base interactions energy: -1609.425 where: short stacking energy: -620.238 Base-Backbone interact. energy: -0.601 local terms energy: -598.369416 where: bonds (distance) C4'-P energy: -99.625 bonds (distance) P-C4' energy: -112.711 flat angles C4'-P-C4' energy: -123.034 flat angles P-C4'-P energy: -83.333 tors. eta vs tors. theta energy: -179.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -2152.701022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.701022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.701022 (E_RNA) where: Base-Base interactions energy: -1552.642 where: short stacking energy: -620.775 Base-Backbone interact. energy: -1.270 local terms energy: -598.789523 where: bonds (distance) C4'-P energy: -73.396 bonds (distance) P-C4' energy: -110.562 flat angles C4'-P-C4' energy: -139.689 flat angles P-C4'-P energy: -89.465 tors. eta vs tors. theta energy: -185.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1930.570461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.570461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.570461 (E_RNA) where: Base-Base interactions energy: -1402.142 where: short stacking energy: -526.069 Base-Backbone interact. energy: -1.170 local terms energy: -527.258874 where: bonds (distance) C4'-P energy: -93.830 bonds (distance) P-C4' energy: -91.539 flat angles C4'-P-C4' energy: -122.844 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -146.736 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: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1758.969912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.969912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.969912 (E_RNA) where: Base-Base interactions energy: -1251.692 where: short stacking energy: -499.200 Base-Backbone interact. energy: 3.003 local terms energy: -510.281152 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -80.224 flat angles C4'-P-C4' energy: -121.497 flat angles P-C4'-P energy: -80.387 tors. eta vs tors. theta energy: -131.086 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: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2679.847113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.847113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.847113 (E_RNA) where: Base-Base interactions energy: -1974.512 where: short stacking energy: -761.541 Base-Backbone interact. energy: -2.505 local terms energy: -702.830725 where: bonds (distance) C4'-P energy: -127.248 bonds (distance) P-C4' energy: -123.910 flat angles C4'-P-C4' energy: -143.109 flat angles P-C4'-P energy: -89.780 tors. eta vs tors. theta energy: -218.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2593.059767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.059767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.059767 (E_RNA) where: Base-Base interactions energy: -1897.588 where: short stacking energy: -734.701 Base-Backbone interact. energy: -1.453 local terms energy: -694.018918 where: bonds (distance) C4'-P energy: -125.834 bonds (distance) P-C4' energy: -100.368 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -111.033 tors. eta vs tors. theta energy: -212.999 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: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2550.324263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.324263 (E_RNA) where: Base-Base interactions energy: -1853.842 where: short stacking energy: -719.868 Base-Backbone interact. energy: -1.573 local terms energy: -694.909624 where: bonds (distance) C4'-P energy: -130.576 bonds (distance) P-C4' energy: -106.834 flat angles C4'-P-C4' energy: -147.020 flat angles P-C4'-P energy: -99.420 tors. eta vs tors. theta energy: -211.059 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: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2447.785758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.785758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.785758 (E_RNA) where: Base-Base interactions energy: -1772.514 where: short stacking energy: -694.881 Base-Backbone interact. energy: -2.715 local terms energy: -672.555948 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -99.748 flat angles C4'-P-C4' energy: -154.468 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -203.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2415.496271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.496271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.496271 (E_RNA) where: Base-Base interactions energy: -1752.063 where: short stacking energy: -691.874 Base-Backbone interact. energy: -3.153 local terms energy: -660.280430 where: bonds (distance) C4'-P energy: -101.996 bonds (distance) P-C4' energy: -111.661 flat angles C4'-P-C4' energy: -147.786 flat angles P-C4'-P energy: -92.507 tors. eta vs tors. theta energy: -206.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2347.610361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.610361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.610361 (E_RNA) where: Base-Base interactions energy: -1715.961 where: short stacking energy: -682.921 Base-Backbone interact. energy: -0.065 local terms energy: -631.584685 where: bonds (distance) C4'-P energy: -96.199 bonds (distance) P-C4' energy: -108.706 flat angles C4'-P-C4' energy: -138.941 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -194.778 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: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2226.102312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.102312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.102312 (E_RNA) where: Base-Base interactions energy: -1625.916 where: short stacking energy: -649.344 Base-Backbone interact. energy: -1.771 local terms energy: -598.414842 where: bonds (distance) C4'-P energy: -95.494 bonds (distance) P-C4' energy: -94.510 flat angles C4'-P-C4' energy: -128.888 flat angles P-C4'-P energy: -93.113 tors. eta vs tors. theta energy: -186.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -2164.169130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.169130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.169130 (E_RNA) where: Base-Base interactions energy: -1595.588 where: short stacking energy: -624.969 Base-Backbone interact. energy: -0.905 local terms energy: -567.675678 where: bonds (distance) C4'-P energy: -93.662 bonds (distance) P-C4' energy: -100.015 flat angles C4'-P-C4' energy: -122.726 flat angles P-C4'-P energy: -76.458 tors. eta vs tors. theta energy: -174.815 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: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1938.914984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.914984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.914984 (E_RNA) where: Base-Base interactions energy: -1416.349 where: short stacking energy: -536.952 Base-Backbone interact. energy: -2.136 local terms energy: -520.430772 where: bonds (distance) C4'-P energy: -96.748 bonds (distance) P-C4' energy: -99.885 flat angles C4'-P-C4' energy: -115.303 flat angles P-C4'-P energy: -62.656 tors. eta vs tors. theta energy: -145.838 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: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1735.179990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.179990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.179990 (E_RNA) where: Base-Base interactions energy: -1248.644 where: short stacking energy: -503.149 Base-Backbone interact. energy: 1.447 local terms energy: -487.982123 where: bonds (distance) C4'-P energy: -86.741 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -123.825 flat angles P-C4'-P energy: -51.622 tors. eta vs tors. theta energy: -133.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2666.951330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.951330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.951330 (E_RNA) where: Base-Base interactions energy: -1964.027 where: short stacking energy: -773.955 Base-Backbone interact. energy: -0.294 local terms energy: -702.630673 where: bonds (distance) C4'-P energy: -114.308 bonds (distance) P-C4' energy: -119.723 flat angles C4'-P-C4' energy: -154.669 flat angles P-C4'-P energy: -93.663 tors. eta vs tors. theta energy: -220.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2584.957609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.957609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.957609 (E_RNA) where: Base-Base interactions energy: -1865.030 where: short stacking energy: -721.538 Base-Backbone interact. energy: -2.385 local terms energy: -717.542454 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -120.408 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -99.397 tors. eta vs tors. theta energy: -219.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2523.498170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.498170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.498170 (E_RNA) where: Base-Base interactions energy: -1833.829 where: short stacking energy: -702.673 Base-Backbone interact. energy: -0.372 local terms energy: -689.296692 where: bonds (distance) C4'-P energy: -128.139 bonds (distance) P-C4' energy: -116.091 flat angles C4'-P-C4' energy: -145.131 flat angles P-C4'-P energy: -89.398 tors. eta vs tors. theta energy: -210.537 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: 5 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2483.438028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.438028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.438028 (E_RNA) where: Base-Base interactions energy: -1810.386 where: short stacking energy: -708.589 Base-Backbone interact. energy: -0.952 local terms energy: -672.100295 where: bonds (distance) C4'-P energy: -98.981 bonds (distance) P-C4' energy: -122.022 flat angles C4'-P-C4' energy: -147.094 flat angles P-C4'-P energy: -96.788 tors. eta vs tors. theta energy: -207.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2416.031183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.031183 (E_RNA) where: Base-Base interactions energy: -1765.427 where: short stacking energy: -684.259 Base-Backbone interact. energy: -2.039 local terms energy: -648.565390 where: bonds (distance) C4'-P energy: -107.495 bonds (distance) P-C4' energy: -103.366 flat angles C4'-P-C4' energy: -142.548 flat angles P-C4'-P energy: -91.517 tors. eta vs tors. theta energy: -203.640 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: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2304.325670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.325670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.325670 (E_RNA) where: Base-Base interactions energy: -1692.160 where: short stacking energy: -674.971 Base-Backbone interact. energy: -0.497 local terms energy: -611.669121 where: bonds (distance) C4'-P energy: -113.733 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -138.374 flat angles P-C4'-P energy: -84.565 tors. eta vs tors. theta energy: -195.898 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: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2226.480543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.480543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.480543 (E_RNA) where: Base-Base interactions energy: -1622.620 where: short stacking energy: -636.707 Base-Backbone interact. energy: 1.095 local terms energy: -604.955228 where: bonds (distance) C4'-P energy: -108.558 bonds (distance) P-C4' energy: -93.999 flat angles C4'-P-C4' energy: -128.826 flat angles P-C4'-P energy: -90.135 tors. eta vs tors. theta energy: -183.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -2199.592944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.592944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.592944 (E_RNA) where: Base-Base interactions energy: -1604.954 where: short stacking energy: -639.172 Base-Backbone interact. energy: -0.144 local terms energy: -594.495068 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -106.533 flat angles C4'-P-C4' energy: -130.898 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -188.879 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: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -2006.470636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.470636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.470636 (E_RNA) where: Base-Base interactions energy: -1442.613 where: short stacking energy: -545.869 Base-Backbone interact. energy: -1.157 local terms energy: -562.700617 where: bonds (distance) C4'-P energy: -93.094 bonds (distance) P-C4' energy: -97.830 flat angles C4'-P-C4' energy: -126.592 flat angles P-C4'-P energy: -83.434 tors. eta vs tors. theta energy: -161.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1747.990957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.990957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.990957 (E_RNA) where: Base-Base interactions energy: -1240.231 where: short stacking energy: -503.624 Base-Backbone interact. energy: -1.392 local terms energy: -506.367723 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -85.410 flat angles C4'-P-C4' energy: -114.721 flat angles P-C4'-P energy: -71.247 tors. eta vs tors. theta energy: -145.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2636.950301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.950301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.950301 (E_RNA) where: Base-Base interactions energy: -1924.622 where: short stacking energy: -737.123 Base-Backbone interact. energy: 0.512 local terms energy: -712.840429 where: bonds (distance) C4'-P energy: -127.294 bonds (distance) P-C4' energy: -119.693 flat angles C4'-P-C4' energy: -151.632 flat angles P-C4'-P energy: -95.514 tors. eta vs tors. theta energy: -218.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2577.129668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.129668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.129668 (E_RNA) where: Base-Base interactions energy: -1873.650 where: short stacking energy: -720.227 Base-Backbone interact. energy: -2.994 local terms energy: -700.485871 where: bonds (distance) C4'-P energy: -128.180 bonds (distance) P-C4' energy: -123.530 flat angles C4'-P-C4' energy: -144.782 flat angles P-C4'-P energy: -90.342 tors. eta vs tors. theta energy: -213.652 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: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2569.415169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.415169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.415169 (E_RNA) where: Base-Base interactions energy: -1853.209 where: short stacking energy: -725.788 Base-Backbone interact. energy: 3.800 local terms energy: -720.005761 where: bonds (distance) C4'-P energy: -122.725 bonds (distance) P-C4' energy: -128.618 flat angles C4'-P-C4' energy: -145.731 flat angles P-C4'-P energy: -109.999 tors. eta vs tors. theta energy: -212.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2487.948718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.948718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.948718 (E_RNA) where: Base-Base interactions energy: -1797.751 where: short stacking energy: -697.617 Base-Backbone interact. energy: 1.500 local terms energy: -691.697770 where: bonds (distance) C4'-P energy: -107.294 bonds (distance) P-C4' energy: -120.807 flat angles C4'-P-C4' energy: -146.909 flat angles P-C4'-P energy: -106.869 tors. eta vs tors. theta energy: -209.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2417.235234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.235234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.235234 (E_RNA) where: Base-Base interactions energy: -1772.580 where: short stacking energy: -680.471 Base-Backbone interact. energy: -0.756 local terms energy: -643.900052 where: bonds (distance) C4'-P energy: -93.478 bonds (distance) P-C4' energy: -106.642 flat angles C4'-P-C4' energy: -138.675 flat angles P-C4'-P energy: -99.584 tors. eta vs tors. theta energy: -205.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2310.910808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.910808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.910808 (E_RNA) where: Base-Base interactions energy: -1666.819 where: short stacking energy: -633.814 Base-Backbone interact. energy: -1.744 local terms energy: -642.347591 where: bonds (distance) C4'-P energy: -119.156 bonds (distance) P-C4' energy: -108.060 flat angles C4'-P-C4' energy: -136.399 flat angles P-C4'-P energy: -82.402 tors. eta vs tors. theta energy: -196.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2268.965046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.965046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.965046 (E_RNA) where: Base-Base interactions energy: -1666.606 where: short stacking energy: -649.243 Base-Backbone interact. energy: -1.269 local terms energy: -601.089920 where: bonds (distance) C4'-P energy: -93.056 bonds (distance) P-C4' energy: -89.154 flat angles C4'-P-C4' energy: -139.325 flat angles P-C4'-P energy: -86.619 tors. eta vs tors. theta energy: -192.935 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: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2265.465570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.465570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.465570 (E_RNA) where: Base-Base interactions energy: -1650.837 where: short stacking energy: -641.866 Base-Backbone interact. energy: 3.026 local terms energy: -617.654082 where: bonds (distance) C4'-P energy: -118.118 bonds (distance) P-C4' energy: -95.637 flat angles C4'-P-C4' energy: -130.273 flat angles P-C4'-P energy: -81.133 tors. eta vs tors. theta energy: -192.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -2004.117847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.117847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.117847 (E_RNA) where: Base-Base interactions energy: -1459.597 where: short stacking energy: -547.071 Base-Backbone interact. energy: 2.346 local terms energy: -546.867442 where: bonds (distance) C4'-P energy: -105.380 bonds (distance) P-C4' energy: -92.227 flat angles C4'-P-C4' energy: -127.979 flat angles P-C4'-P energy: -72.390 tors. eta vs tors. theta energy: -148.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1673.997040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.997040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.997040 (E_RNA) where: Base-Base interactions energy: -1171.167 where: short stacking energy: -493.273 Base-Backbone interact. energy: -2.231 local terms energy: -500.599145 where: bonds (distance) C4'-P energy: -90.230 bonds (distance) P-C4' energy: -100.497 flat angles C4'-P-C4' energy: -116.866 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -131.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2653.590665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.590665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.590665 (E_RNA) where: Base-Base interactions energy: -1924.074 where: short stacking energy: -738.976 Base-Backbone interact. energy: -0.332 local terms energy: -729.184094 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -149.534 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -214.417 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: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2605.893671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.893671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.893671 (E_RNA) where: Base-Base interactions energy: -1913.599 where: short stacking energy: -740.295 Base-Backbone interact. energy: 0.027 local terms energy: -692.321410 where: bonds (distance) C4'-P energy: -117.751 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -143.623 flat angles P-C4'-P energy: -103.862 tors. eta vs tors. theta energy: -215.127 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: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2571.249956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.249956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.249956 (E_RNA) where: Base-Base interactions energy: -1898.970 where: short stacking energy: -744.596 Base-Backbone interact. energy: -3.749 local terms energy: -668.530795 where: bonds (distance) C4'-P energy: -115.096 bonds (distance) P-C4' energy: -110.744 flat angles C4'-P-C4' energy: -143.122 flat angles P-C4'-P energy: -92.427 tors. eta vs tors. theta energy: -207.142 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: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2451.713092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.713092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.713092 (E_RNA) where: Base-Base interactions energy: -1788.580 where: short stacking energy: -710.824 Base-Backbone interact. energy: -1.718 local terms energy: -661.415397 where: bonds (distance) C4'-P energy: -96.128 bonds (distance) P-C4' energy: -119.302 flat angles C4'-P-C4' energy: -138.046 flat angles P-C4'-P energy: -97.554 tors. eta vs tors. theta energy: -210.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2440.334210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.334210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.334210 (E_RNA) where: Base-Base interactions energy: -1780.023 where: short stacking energy: -687.239 Base-Backbone interact. energy: 0.357 local terms energy: -660.668054 where: bonds (distance) C4'-P energy: -95.828 bonds (distance) P-C4' energy: -114.508 flat angles C4'-P-C4' energy: -143.128 flat angles P-C4'-P energy: -100.549 tors. eta vs tors. theta energy: -206.655 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: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2320.490592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.490592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.490592 (E_RNA) where: Base-Base interactions energy: -1677.700 where: short stacking energy: -648.937 Base-Backbone interact. energy: -3.076 local terms energy: -639.715084 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -104.520 flat angles C4'-P-C4' energy: -138.355 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -190.791 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: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2327.660202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.660202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.660202 (E_RNA) where: Base-Base interactions energy: -1692.968 where: short stacking energy: -660.822 Base-Backbone interact. energy: -1.908 local terms energy: -632.784512 where: bonds (distance) C4'-P energy: -114.689 bonds (distance) P-C4' energy: -101.681 flat angles C4'-P-C4' energy: -132.024 flat angles P-C4'-P energy: -87.487 tors. eta vs tors. theta energy: -196.905 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: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -2245.096080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.096080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.096080 (E_RNA) where: Base-Base interactions energy: -1636.650 where: short stacking energy: -639.635 Base-Backbone interact. energy: 0.215 local terms energy: -608.661492 where: bonds (distance) C4'-P energy: -105.237 bonds (distance) P-C4' energy: -95.425 flat angles C4'-P-C4' energy: -130.375 flat angles P-C4'-P energy: -83.614 tors. eta vs tors. theta energy: -194.010 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: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -2014.137336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.137336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.137336 (E_RNA) where: Base-Base interactions energy: -1462.786 where: short stacking energy: -547.536 Base-Backbone interact. energy: -0.126 local terms energy: -551.225549 where: bonds (distance) C4'-P energy: -98.902 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -125.830 flat angles P-C4'-P energy: -71.953 tors. eta vs tors. theta energy: -158.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1788.553198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.553198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.553198 (E_RNA) where: Base-Base interactions energy: -1264.065 where: short stacking energy: -494.707 Base-Backbone interact. energy: 0.475 local terms energy: -524.963176 where: bonds (distance) C4'-P energy: -96.769 bonds (distance) P-C4' energy: -97.080 flat angles C4'-P-C4' energy: -115.813 flat angles P-C4'-P energy: -68.605 tors. eta vs tors. theta energy: -146.696 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: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2656.768042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.768042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.768042 (E_RNA) where: Base-Base interactions energy: -1940.545 where: short stacking energy: -761.645 Base-Backbone interact. energy: -1.497 local terms energy: -714.726136 where: bonds (distance) C4'-P energy: -121.635 bonds (distance) P-C4' energy: -122.530 flat angles C4'-P-C4' energy: -151.315 flat angles P-C4'-P energy: -99.230 tors. eta vs tors. theta energy: -220.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2592.166340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.166340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.166340 (E_RNA) where: Base-Base interactions energy: -1909.026 where: short stacking energy: -724.833 Base-Backbone interact. energy: -1.495 local terms energy: -681.645139 where: bonds (distance) C4'-P energy: -124.373 bonds (distance) P-C4' energy: -105.429 flat angles C4'-P-C4' energy: -143.108 flat angles P-C4'-P energy: -106.630 tors. eta vs tors. theta energy: -202.105 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: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2564.980647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.980647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.980647 (E_RNA) where: Base-Base interactions energy: -1890.741 where: short stacking energy: -714.472 Base-Backbone interact. energy: -1.489 local terms energy: -672.751393 where: bonds (distance) C4'-P energy: -119.414 bonds (distance) P-C4' energy: -113.322 flat angles C4'-P-C4' energy: -149.570 flat angles P-C4'-P energy: -80.710 tors. eta vs tors. theta energy: -209.736 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: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2457.007197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.007197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.007197 (E_RNA) where: Base-Base interactions energy: -1802.696 where: short stacking energy: -709.720 Base-Backbone interact. energy: -1.005 local terms energy: -653.305661 where: bonds (distance) C4'-P energy: -111.463 bonds (distance) P-C4' energy: -100.482 flat angles C4'-P-C4' energy: -134.358 flat angles P-C4'-P energy: -102.913 tors. eta vs tors. theta energy: -204.090 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: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2448.940528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.940528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.940528 (E_RNA) where: Base-Base interactions energy: -1784.357 where: short stacking energy: -699.942 Base-Backbone interact. energy: -0.496 local terms energy: -664.087492 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -110.742 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -95.100 tors. eta vs tors. theta energy: -209.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2297.499107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.499107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.499107 (E_RNA) where: Base-Base interactions energy: -1668.052 where: short stacking energy: -630.551 Base-Backbone interact. energy: -2.218 local terms energy: -627.229611 where: bonds (distance) C4'-P energy: -107.833 bonds (distance) P-C4' energy: -117.414 flat angles C4'-P-C4' energy: -131.817 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -185.191 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: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2275.521003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.521003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.521003 (E_RNA) where: Base-Base interactions energy: -1677.642 where: short stacking energy: -653.916 Base-Backbone interact. energy: -1.491 local terms energy: -596.387526 where: bonds (distance) C4'-P energy: -95.009 bonds (distance) P-C4' energy: -104.059 flat angles C4'-P-C4' energy: -127.411 flat angles P-C4'-P energy: -81.502 tors. eta vs tors. theta energy: -188.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -2214.102020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.102020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.102020 (E_RNA) where: Base-Base interactions energy: -1598.665 where: short stacking energy: -600.723 Base-Backbone interact. energy: 0.184 local terms energy: -615.620593 where: bonds (distance) C4'-P energy: -97.638 bonds (distance) P-C4' energy: -106.908 flat angles C4'-P-C4' energy: -136.680 flat angles P-C4'-P energy: -92.231 tors. eta vs tors. theta energy: -182.164 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: 242 Temperature: 1.300000 Total energy: -2025.079047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.079047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.079047 (E_RNA) where: Base-Base interactions energy: -1496.142 where: short stacking energy: -572.796 Base-Backbone interact. energy: -1.970 local terms energy: -526.967000 where: bonds (distance) C4'-P energy: -92.957 bonds (distance) P-C4' energy: -86.885 flat angles C4'-P-C4' energy: -112.470 flat angles P-C4'-P energy: -71.323 tors. eta vs tors. theta energy: -163.332 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: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1785.045304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.045304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.045304 (E_RNA) where: Base-Base interactions energy: -1276.333 where: short stacking energy: -510.124 Base-Backbone interact. energy: -1.664 local terms energy: -507.048453 where: bonds (distance) C4'-P energy: -96.243 bonds (distance) P-C4' energy: -84.053 flat angles C4'-P-C4' energy: -116.654 flat angles P-C4'-P energy: -79.863 tors. eta vs tors. theta energy: -130.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2660.334095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.334095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.334095 (E_RNA) where: Base-Base interactions energy: -1941.447 where: short stacking energy: -753.191 Base-Backbone interact. energy: -1.037 local terms energy: -717.849497 where: bonds (distance) C4'-P energy: -127.914 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -145.565 flat angles P-C4'-P energy: -101.526 tors. eta vs tors. theta energy: -220.661 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: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2592.981275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.981275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.981275 (E_RNA) where: Base-Base interactions energy: -1895.494 where: short stacking energy: -740.569 Base-Backbone interact. energy: -1.268 local terms energy: -696.219044 where: bonds (distance) C4'-P energy: -102.771 bonds (distance) P-C4' energy: -117.176 flat angles C4'-P-C4' energy: -153.153 flat angles P-C4'-P energy: -109.454 tors. eta vs tors. theta energy: -213.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2549.388074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.388074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.388074 (E_RNA) where: Base-Base interactions energy: -1853.850 where: short stacking energy: -715.428 Base-Backbone interact. energy: -2.910 local terms energy: -692.628270 where: bonds (distance) C4'-P energy: -125.750 bonds (distance) P-C4' energy: -113.404 flat angles C4'-P-C4' energy: -141.734 flat angles P-C4'-P energy: -99.507 tors. eta vs tors. theta energy: -212.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2501.462515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.462515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.462515 (E_RNA) where: Base-Base interactions energy: -1783.427 where: short stacking energy: -706.237 Base-Backbone interact. energy: -0.170 local terms energy: -717.865935 where: bonds (distance) C4'-P energy: -118.017 bonds (distance) P-C4' energy: -119.469 flat angles C4'-P-C4' energy: -147.102 flat angles P-C4'-P energy: -114.727 tors. eta vs tors. theta energy: -218.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2422.422646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.422646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.422646 (E_RNA) where: Base-Base interactions energy: -1770.983 where: short stacking energy: -687.285 Base-Backbone interact. energy: -1.488 local terms energy: -649.951851 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -110.758 flat angles C4'-P-C4' energy: -146.082 flat angles P-C4'-P energy: -87.413 tors. eta vs tors. theta energy: -196.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2336.823707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.823707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.823707 (E_RNA) where: Base-Base interactions energy: -1704.895 where: short stacking energy: -657.643 Base-Backbone interact. energy: -0.459 local terms energy: -631.469528 where: bonds (distance) C4'-P energy: -111.777 bonds (distance) P-C4' energy: -97.901 flat angles C4'-P-C4' energy: -130.816 flat angles P-C4'-P energy: -91.483 tors. eta vs tors. theta energy: -199.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2306.370071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.370071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.370071 (E_RNA) where: Base-Base interactions energy: -1657.627 where: short stacking energy: -650.464 Base-Backbone interact. energy: -0.612 local terms energy: -648.131094 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -122.001 flat angles C4'-P-C4' energy: -133.969 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -202.232 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: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -2209.511384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.511384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.511384 (E_RNA) where: Base-Base interactions energy: -1594.021 where: short stacking energy: -621.208 Base-Backbone interact. energy: -0.429 local terms energy: -615.061300 where: bonds (distance) C4'-P energy: -101.133 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -127.181 flat angles P-C4'-P energy: -88.253 tors. eta vs tors. theta energy: -185.605 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: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1969.005618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.005618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.005618 (E_RNA) where: Base-Base interactions energy: -1432.370 where: short stacking energy: -563.609 Base-Backbone interact. energy: 2.453 local terms energy: -539.088749 where: bonds (distance) C4'-P energy: -84.824 bonds (distance) P-C4' energy: -90.492 flat angles C4'-P-C4' energy: -124.532 flat angles P-C4'-P energy: -73.555 tors. eta vs tors. theta energy: -165.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1644.185767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.185767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.185767 (E_RNA) where: Base-Base interactions energy: -1147.877 where: short stacking energy: -459.454 Base-Backbone interact. energy: 0.971 local terms energy: -497.280424 where: bonds (distance) C4'-P energy: -110.340 bonds (distance) P-C4' energy: -103.113 flat angles C4'-P-C4' energy: -110.068 flat angles P-C4'-P energy: -60.757 tors. eta vs tors. theta energy: -113.003 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: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2698.063915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.063915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.063915 (E_RNA) where: Base-Base interactions energy: -1970.780 where: short stacking energy: -768.815 Base-Backbone interact. energy: -0.317 local terms energy: -726.967317 where: bonds (distance) C4'-P energy: -130.954 bonds (distance) P-C4' energy: -136.380 flat angles C4'-P-C4' energy: -144.176 flat angles P-C4'-P energy: -89.598 tors. eta vs tors. theta energy: -225.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2598.446149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.446149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.446149 (E_RNA) where: Base-Base interactions energy: -1886.691 where: short stacking energy: -729.018 Base-Backbone interact. energy: 0.043 local terms energy: -711.798504 where: bonds (distance) C4'-P energy: -126.819 bonds (distance) P-C4' energy: -128.733 flat angles C4'-P-C4' energy: -142.726 flat angles P-C4'-P energy: -103.926 tors. eta vs tors. theta energy: -209.595 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2557.476443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.476443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.476443 (E_RNA) where: Base-Base interactions energy: -1866.472 where: short stacking energy: -720.297 Base-Backbone interact. energy: -0.776 local terms energy: -690.228296 where: bonds (distance) C4'-P energy: -123.979 bonds (distance) P-C4' energy: -112.428 flat angles C4'-P-C4' energy: -145.253 flat angles P-C4'-P energy: -102.143 tors. eta vs tors. theta energy: -206.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2473.175695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.175695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.175695 (E_RNA) where: Base-Base interactions energy: -1787.017 where: short stacking energy: -719.289 Base-Backbone interact. energy: -1.034 local terms energy: -685.124476 where: bonds (distance) C4'-P energy: -114.589 bonds (distance) P-C4' energy: -119.076 flat angles C4'-P-C4' energy: -136.641 flat angles P-C4'-P energy: -94.729 tors. eta vs tors. theta energy: -220.090 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: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2389.757998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.757998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.757998 (E_RNA) where: Base-Base interactions energy: -1728.073 where: short stacking energy: -675.687 Base-Backbone interact. energy: -1.224 local terms energy: -660.461614 where: bonds (distance) C4'-P energy: -105.323 bonds (distance) P-C4' energy: -104.921 flat angles C4'-P-C4' energy: -148.808 flat angles P-C4'-P energy: -90.527 tors. eta vs tors. theta energy: -210.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2370.470009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.470009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.470009 (E_RNA) where: Base-Base interactions energy: -1726.876 where: short stacking energy: -663.830 Base-Backbone interact. energy: -1.010 local terms energy: -642.584062 where: bonds (distance) C4'-P energy: -106.719 bonds (distance) P-C4' energy: -111.937 flat angles C4'-P-C4' energy: -143.337 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -197.678 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: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2292.213232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.213232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.213232 (E_RNA) where: Base-Base interactions energy: -1686.444 where: short stacking energy: -660.771 Base-Backbone interact. energy: -1.329 local terms energy: -604.439686 where: bonds (distance) C4'-P energy: -93.941 bonds (distance) P-C4' energy: -106.630 flat angles C4'-P-C4' energy: -126.349 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -192.401 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: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2200.731119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.731119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.731119 (E_RNA) where: Base-Base interactions energy: -1604.751 where: short stacking energy: -619.466 Base-Backbone interact. energy: -0.175 local terms energy: -595.805050 where: bonds (distance) C4'-P energy: -101.427 bonds (distance) P-C4' energy: -104.974 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -76.763 tors. eta vs tors. theta energy: -186.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1983.338723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.338723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.338723 (E_RNA) where: Base-Base interactions energy: -1439.323 where: short stacking energy: -554.828 Base-Backbone interact. energy: -1.381 local terms energy: -542.634807 where: bonds (distance) C4'-P energy: -86.317 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -103.632 flat angles P-C4'-P energy: -79.706 tors. eta vs tors. theta energy: -153.503 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: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1742.642205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.642205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.642205 (E_RNA) where: Base-Base interactions energy: -1208.804 where: short stacking energy: -480.242 Base-Backbone interact. energy: 0.212 local terms energy: -534.050209 where: bonds (distance) C4'-P energy: -98.893 bonds (distance) P-C4' energy: -90.316 flat angles C4'-P-C4' energy: -133.793 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -128.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2661.145834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.145834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.145834 (E_RNA) where: Base-Base interactions energy: -1946.919 where: short stacking energy: -748.711 Base-Backbone interact. energy: -1.323 local terms energy: -712.904747 where: bonds (distance) C4'-P energy: -130.206 bonds (distance) P-C4' energy: -125.345 flat angles C4'-P-C4' energy: -139.816 flat angles P-C4'-P energy: -102.249 tors. eta vs tors. theta energy: -215.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2606.454872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.454872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.454872 (E_RNA) where: Base-Base interactions energy: -1915.528 where: short stacking energy: -751.026 Base-Backbone interact. energy: -1.908 local terms energy: -689.018086 where: bonds (distance) C4'-P energy: -112.616 bonds (distance) P-C4' energy: -108.856 flat angles C4'-P-C4' energy: -145.252 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -225.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2555.975422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.975422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.975422 (E_RNA) where: Base-Base interactions energy: -1871.267 where: short stacking energy: -721.746 Base-Backbone interact. energy: -0.237 local terms energy: -684.471374 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -110.085 flat angles C4'-P-C4' energy: -144.030 flat angles P-C4'-P energy: -95.022 tors. eta vs tors. theta energy: -205.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2494.038370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.038370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.038370 (E_RNA) where: Base-Base interactions energy: -1815.570 where: short stacking energy: -716.088 Base-Backbone interact. energy: -1.247 local terms energy: -677.221731 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -125.104 flat angles C4'-P-C4' energy: -151.248 flat angles P-C4'-P energy: -94.670 tors. eta vs tors. theta energy: -204.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2361.287081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.287081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.287081 (E_RNA) where: Base-Base interactions energy: -1687.590 where: short stacking energy: -663.384 Base-Backbone interact. energy: -1.815 local terms energy: -671.881615 where: bonds (distance) C4'-P energy: -113.990 bonds (distance) P-C4' energy: -118.821 flat angles C4'-P-C4' energy: -144.216 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -203.837 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: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2385.637526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.637526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.637526 (E_RNA) where: Base-Base interactions energy: -1751.732 where: short stacking energy: -674.546 Base-Backbone interact. energy: 1.897 local terms energy: -635.802553 where: bonds (distance) C4'-P energy: -110.778 bonds (distance) P-C4' energy: -102.716 flat angles C4'-P-C4' energy: -128.830 flat angles P-C4'-P energy: -97.124 tors. eta vs tors. theta energy: -196.354 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: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2310.124805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.124805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.124805 (E_RNA) where: Base-Base interactions energy: -1661.158 where: short stacking energy: -637.726 Base-Backbone interact. energy: -0.861 local terms energy: -648.105914 where: bonds (distance) C4'-P energy: -100.332 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -83.516 tors. eta vs tors. theta energy: -200.445 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: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -2202.225327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.225327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.225327 (E_RNA) where: Base-Base interactions energy: -1605.453 where: short stacking energy: -638.410 Base-Backbone interact. energy: 3.291 local terms energy: -600.063959 where: bonds (distance) C4'-P energy: -88.606 bonds (distance) P-C4' energy: -95.470 flat angles C4'-P-C4' energy: -131.075 flat angles P-C4'-P energy: -88.312 tors. eta vs tors. theta energy: -196.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1986.220111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.220111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.220111 (E_RNA) where: Base-Base interactions energy: -1441.644 where: short stacking energy: -573.379 Base-Backbone interact. energy: 1.534 local terms energy: -546.110389 where: bonds (distance) C4'-P energy: -93.157 bonds (distance) P-C4' energy: -93.427 flat angles C4'-P-C4' energy: -115.370 flat angles P-C4'-P energy: -80.186 tors. eta vs tors. theta energy: -163.971 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: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1730.921101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.921101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.921101 (E_RNA) where: Base-Base interactions energy: -1209.722 where: short stacking energy: -477.166 Base-Backbone interact. energy: -1.489 local terms energy: -519.710142 where: bonds (distance) C4'-P energy: -95.944 bonds (distance) P-C4' energy: -91.478 flat angles C4'-P-C4' energy: -113.245 flat angles P-C4'-P energy: -75.593 tors. eta vs tors. theta energy: -143.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2677.139789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.139789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.139789 (E_RNA) where: Base-Base interactions energy: -1960.968 where: short stacking energy: -755.450 Base-Backbone interact. energy: -0.928 local terms energy: -715.243811 where: bonds (distance) C4'-P energy: -117.252 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -152.187 flat angles P-C4'-P energy: -112.177 tors. eta vs tors. theta energy: -221.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2607.406234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.406234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.406234 (E_RNA) where: Base-Base interactions energy: -1909.456 where: short stacking energy: -737.895 Base-Backbone interact. energy: -0.619 local terms energy: -697.332132 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -116.535 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -100.222 tors. eta vs tors. theta energy: -208.084 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: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2536.193083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.193083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.193083 (E_RNA) where: Base-Base interactions energy: -1860.455 where: short stacking energy: -726.430 Base-Backbone interact. energy: -0.640 local terms energy: -675.098070 where: bonds (distance) C4'-P energy: -101.236 bonds (distance) P-C4' energy: -132.370 flat angles C4'-P-C4' energy: -140.331 flat angles P-C4'-P energy: -96.757 tors. eta vs tors. theta energy: -204.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2441.480379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.480379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.480379 (E_RNA) where: Base-Base interactions energy: -1781.374 where: short stacking energy: -707.715 Base-Backbone interact. energy: -1.230 local terms energy: -658.876365 where: bonds (distance) C4'-P energy: -100.402 bonds (distance) P-C4' energy: -123.319 flat angles C4'-P-C4' energy: -130.168 flat angles P-C4'-P energy: -103.927 tors. eta vs tors. theta energy: -201.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2396.961396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.961396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.961396 (E_RNA) where: Base-Base interactions energy: -1758.600 where: short stacking energy: -681.049 Base-Backbone interact. energy: -0.847 local terms energy: -637.515040 where: bonds (distance) C4'-P energy: -89.449 bonds (distance) P-C4' energy: -124.325 flat angles C4'-P-C4' energy: -141.021 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -202.803 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: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2343.024548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.024548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.024548 (E_RNA) where: Base-Base interactions energy: -1718.645 where: short stacking energy: -678.464 Base-Backbone interact. energy: 1.041 local terms energy: -625.420795 where: bonds (distance) C4'-P energy: -99.206 bonds (distance) P-C4' energy: -111.694 flat angles C4'-P-C4' energy: -131.479 flat angles P-C4'-P energy: -90.136 tors. eta vs tors. theta energy: -192.906 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: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2327.721027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.721027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.721027 (E_RNA) where: Base-Base interactions energy: -1702.208 where: short stacking energy: -664.285 Base-Backbone interact. energy: -1.249 local terms energy: -624.263940 where: bonds (distance) C4'-P energy: -95.640 bonds (distance) P-C4' energy: -99.707 flat angles C4'-P-C4' energy: -138.645 flat angles P-C4'-P energy: -94.503 tors. eta vs tors. theta energy: -195.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2206.454130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.454130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.454130 (E_RNA) where: Base-Base interactions energy: -1611.084 where: short stacking energy: -625.269 Base-Backbone interact. energy: 5.436 local terms energy: -600.806238 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -93.367 flat angles C4'-P-C4' energy: -131.869 flat angles P-C4'-P energy: -98.231 tors. eta vs tors. theta energy: -187.382 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: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1918.575695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.575695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.575695 (E_RNA) where: Base-Base interactions energy: -1388.666 where: short stacking energy: -544.472 Base-Backbone interact. energy: -1.085 local terms energy: -528.824959 where: bonds (distance) C4'-P energy: -83.611 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -115.433 flat angles P-C4'-P energy: -66.231 tors. eta vs tors. theta energy: -154.069 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: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1707.846084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.846084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.846084 (E_RNA) where: Base-Base interactions energy: -1214.345 where: short stacking energy: -501.068 Base-Backbone interact. energy: -2.240 local terms energy: -491.261607 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -105.400 flat angles C4'-P-C4' energy: -108.118 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: -129.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2669.911928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.911928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.911928 (E_RNA) where: Base-Base interactions energy: -1952.834 where: short stacking energy: -769.386 Base-Backbone interact. energy: -1.294 local terms energy: -715.784342 where: bonds (distance) C4'-P energy: -117.506 bonds (distance) P-C4' energy: -120.682 flat angles C4'-P-C4' energy: -152.707 flat angles P-C4'-P energy: -97.378 tors. eta vs tors. theta energy: -227.511 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: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2592.065760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.065760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.065760 (E_RNA) where: Base-Base interactions energy: -1909.607 where: short stacking energy: -727.784 Base-Backbone interact. energy: -2.010 local terms energy: -680.448619 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -129.191 flat angles C4'-P-C4' energy: -138.647 flat angles P-C4'-P energy: -94.404 tors. eta vs tors. theta energy: -209.179 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: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2553.714236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.714236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.714236 (E_RNA) where: Base-Base interactions energy: -1862.405 where: short stacking energy: -706.903 Base-Backbone interact. energy: -1.463 local terms energy: -689.845933 where: bonds (distance) C4'-P energy: -119.208 bonds (distance) P-C4' energy: -126.533 flat angles C4'-P-C4' energy: -145.147 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -205.875 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: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2486.087823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.087823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.087823 (E_RNA) where: Base-Base interactions energy: -1805.774 where: short stacking energy: -711.343 Base-Backbone interact. energy: -1.201 local terms energy: -679.113310 where: bonds (distance) C4'-P energy: -107.900 bonds (distance) P-C4' energy: -104.419 flat angles C4'-P-C4' energy: -139.626 flat angles P-C4'-P energy: -104.656 tors. eta vs tors. theta energy: -222.513 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: 247 Temperature: 1.100000 Total energy: -2413.244915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.244915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.244915 (E_RNA) where: Base-Base interactions energy: -1759.832 where: short stacking energy: -704.325 Base-Backbone interact. energy: -2.720 local terms energy: -650.692600 where: bonds (distance) C4'-P energy: -103.614 bonds (distance) P-C4' energy: -111.287 flat angles C4'-P-C4' energy: -130.512 flat angles P-C4'-P energy: -91.375 tors. eta vs tors. theta energy: -213.905 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: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2330.593060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.593060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.593060 (E_RNA) where: Base-Base interactions energy: -1685.873 where: short stacking energy: -664.629 Base-Backbone interact. energy: 1.211 local terms energy: -645.931020 where: bonds (distance) C4'-P energy: -112.009 bonds (distance) P-C4' energy: -107.442 flat angles C4'-P-C4' energy: -136.309 flat angles P-C4'-P energy: -95.220 tors. eta vs tors. theta energy: -194.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2277.910277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.910277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.910277 (E_RNA) where: Base-Base interactions energy: -1669.118 where: short stacking energy: -642.442 Base-Backbone interact. energy: 1.083 local terms energy: -609.875875 where: bonds (distance) C4'-P energy: -94.612 bonds (distance) P-C4' energy: -121.767 flat angles C4'-P-C4' energy: -118.868 flat angles P-C4'-P energy: -78.826 tors. eta vs tors. theta energy: -195.803 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: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -2226.678849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.678849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.678849 (E_RNA) where: Base-Base interactions energy: -1621.443 where: short stacking energy: -644.846 Base-Backbone interact. energy: -1.059 local terms energy: -604.177019 where: bonds (distance) C4'-P energy: -95.657 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -138.995 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -197.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1997.869419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.869419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.869419 (E_RNA) where: Base-Base interactions energy: -1460.312 where: short stacking energy: -585.835 Base-Backbone interact. energy: -1.455 local terms energy: -536.102743 where: bonds (distance) C4'-P energy: -79.469 bonds (distance) P-C4' energy: -95.306 flat angles C4'-P-C4' energy: -119.932 flat angles P-C4'-P energy: -72.450 tors. eta vs tors. theta energy: -168.945 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: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1725.482176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.482176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.482176 (E_RNA) where: Base-Base interactions energy: -1220.850 where: short stacking energy: -488.769 Base-Backbone interact. energy: 3.357 local terms energy: -507.989061 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -101.911 flat angles C4'-P-C4' energy: -122.540 flat angles P-C4'-P energy: -49.940 tors. eta vs tors. theta energy: -133.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2664.410473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.410473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.410473 (E_RNA) where: Base-Base interactions energy: -1951.345 where: short stacking energy: -752.868 Base-Backbone interact. energy: -1.773 local terms energy: -711.292209 where: bonds (distance) C4'-P energy: -110.695 bonds (distance) P-C4' energy: -133.152 flat angles C4'-P-C4' energy: -148.020 flat angles P-C4'-P energy: -94.101 tors. eta vs tors. theta energy: -225.324 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: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2601.697349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.697349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.697349 (E_RNA) where: Base-Base interactions energy: -1905.274 where: short stacking energy: -713.920 Base-Backbone interact. energy: -0.522 local terms energy: -695.901450 where: bonds (distance) C4'-P energy: -114.352 bonds (distance) P-C4' energy: -121.334 flat angles C4'-P-C4' energy: -140.436 flat angles P-C4'-P energy: -102.060 tors. eta vs tors. theta energy: -217.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2551.277803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.277803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.277803 (E_RNA) where: Base-Base interactions energy: -1866.173 where: short stacking energy: -720.996 Base-Backbone interact. energy: -0.706 local terms energy: -684.399385 where: bonds (distance) C4'-P energy: -122.672 bonds (distance) P-C4' energy: -113.649 flat angles C4'-P-C4' energy: -142.059 flat angles P-C4'-P energy: -103.836 tors. eta vs tors. theta energy: -202.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2493.966045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.966045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.966045 (E_RNA) where: Base-Base interactions energy: -1814.816 where: short stacking energy: -716.214 Base-Backbone interact. energy: 0.131 local terms energy: -679.280523 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -114.736 flat angles C4'-P-C4' energy: -140.246 flat angles P-C4'-P energy: -106.147 tors. eta vs tors. theta energy: -215.929 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: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2419.823207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.823207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.823207 (E_RNA) where: Base-Base interactions energy: -1744.700 where: short stacking energy: -660.549 Base-Backbone interact. energy: -0.844 local terms energy: -674.279597 where: bonds (distance) C4'-P energy: -124.472 bonds (distance) P-C4' energy: -113.002 flat angles C4'-P-C4' energy: -135.742 flat angles P-C4'-P energy: -102.643 tors. eta vs tors. theta energy: -198.420 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: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2318.347967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.347967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.347967 (E_RNA) where: Base-Base interactions energy: -1684.318 where: short stacking energy: -650.709 Base-Backbone interact. energy: 1.348 local terms energy: -635.377274 where: bonds (distance) C4'-P energy: -106.879 bonds (distance) P-C4' energy: -110.045 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: -198.763 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: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2277.670557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.670557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.670557 (E_RNA) where: Base-Base interactions energy: -1642.350 where: short stacking energy: -675.805 Base-Backbone interact. energy: -2.044 local terms energy: -633.276165 where: bonds (distance) C4'-P energy: -109.258 bonds (distance) P-C4' energy: -104.596 flat angles C4'-P-C4' energy: -131.863 flat angles P-C4'-P energy: -94.527 tors. eta vs tors. theta energy: -193.033 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: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -2236.918567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.918567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.918567 (E_RNA) where: Base-Base interactions energy: -1634.742 where: short stacking energy: -633.468 Base-Backbone interact. energy: -0.873 local terms energy: -601.302969 where: bonds (distance) C4'-P energy: -107.217 bonds (distance) P-C4' energy: -82.172 flat angles C4'-P-C4' energy: -134.598 flat angles P-C4'-P energy: -92.580 tors. eta vs tors. theta energy: -184.735 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: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1906.182721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.182721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.182721 (E_RNA) where: Base-Base interactions energy: -1375.014 where: short stacking energy: -526.242 Base-Backbone interact. energy: -0.570 local terms energy: -530.598534 where: bonds (distance) C4'-P energy: -96.305 bonds (distance) P-C4' energy: -94.956 flat angles C4'-P-C4' energy: -126.373 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: -151.370 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: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1655.435715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.435715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.435715 (E_RNA) where: Base-Base interactions energy: -1147.879 where: short stacking energy: -478.513 Base-Backbone interact. energy: -0.219 local terms energy: -507.337396 where: bonds (distance) C4'-P energy: -99.088 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -101.419 flat angles P-C4'-P energy: -69.346 tors. eta vs tors. theta energy: -129.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2672.810715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.810715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.810715 (E_RNA) where: Base-Base interactions energy: -1955.980 where: short stacking energy: -756.801 Base-Backbone interact. energy: -2.496 local terms energy: -714.334787 where: bonds (distance) C4'-P energy: -128.822 bonds (distance) P-C4' energy: -115.697 flat angles C4'-P-C4' energy: -149.693 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -215.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2593.889968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.889968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.889968 (E_RNA) where: Base-Base interactions energy: -1889.184 where: short stacking energy: -722.763 Base-Backbone interact. energy: -1.012 local terms energy: -703.693764 where: bonds (distance) C4'-P energy: -122.785 bonds (distance) P-C4' energy: -118.149 flat angles C4'-P-C4' energy: -152.277 flat angles P-C4'-P energy: -97.979 tors. eta vs tors. theta energy: -212.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2539.647406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.647406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.647406 (E_RNA) where: Base-Base interactions energy: -1862.717 where: short stacking energy: -720.770 Base-Backbone interact. energy: 0.894 local terms energy: -677.824212 where: bonds (distance) C4'-P energy: -109.384 bonds (distance) P-C4' energy: -115.881 flat angles C4'-P-C4' energy: -145.645 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -207.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2440.118181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.118181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.118181 (E_RNA) where: Base-Base interactions energy: -1794.071 where: short stacking energy: -688.023 Base-Backbone interact. energy: -1.214 local terms energy: -644.833115 where: bonds (distance) C4'-P energy: -114.109 bonds (distance) P-C4' energy: -98.904 flat angles C4'-P-C4' energy: -137.351 flat angles P-C4'-P energy: -92.119 tors. eta vs tors. theta energy: -202.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2435.598490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.598490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.598490 (E_RNA) where: Base-Base interactions energy: -1754.425 where: short stacking energy: -703.149 Base-Backbone interact. energy: 0.588 local terms energy: -681.761243 where: bonds (distance) C4'-P energy: -121.438 bonds (distance) P-C4' energy: -114.743 flat angles C4'-P-C4' energy: -140.639 flat angles P-C4'-P energy: -97.130 tors. eta vs tors. theta energy: -207.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2363.427115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.427115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.427115 (E_RNA) where: Base-Base interactions energy: -1730.782 where: short stacking energy: -671.596 Base-Backbone interact. energy: -0.621 local terms energy: -632.023268 where: bonds (distance) C4'-P energy: -100.384 bonds (distance) P-C4' energy: -104.968 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -93.072 tors. eta vs tors. theta energy: -193.743 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: 249 Temperature: 1.200000 Total energy: -2295.309889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.309889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.309889 (E_RNA) where: Base-Base interactions energy: -1696.904 where: short stacking energy: -663.878 Base-Backbone interact. energy: 3.514 local terms energy: -601.919468 where: bonds (distance) C4'-P energy: -87.343 bonds (distance) P-C4' energy: -103.406 flat angles C4'-P-C4' energy: -132.691 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -198.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -2237.538626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.538626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.538626 (E_RNA) where: Base-Base interactions energy: -1639.427 where: short stacking energy: -629.899 Base-Backbone interact. energy: -1.364 local terms energy: -596.748355 where: bonds (distance) C4'-P energy: -94.014 bonds (distance) P-C4' energy: -116.461 flat angles C4'-P-C4' energy: -124.332 flat angles P-C4'-P energy: -77.288 tors. eta vs tors. theta energy: -184.652 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: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1974.311500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.311500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.311500 (E_RNA) where: Base-Base interactions energy: -1426.989 where: short stacking energy: -553.009 Base-Backbone interact. energy: -2.747 local terms energy: -544.575630 where: bonds (distance) C4'-P energy: -91.827 bonds (distance) P-C4' energy: -100.281 flat angles C4'-P-C4' energy: -119.101 flat angles P-C4'-P energy: -73.118 tors. eta vs tors. theta energy: -160.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1708.743395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.743395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.743395 (E_RNA) where: Base-Base interactions energy: -1206.962 where: short stacking energy: -499.110 Base-Backbone interact. energy: -2.235 local terms energy: -499.546472 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -104.679 flat angles C4'-P-C4' energy: -114.973 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -134.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2656.261028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.261028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.261028 (E_RNA) where: Base-Base interactions energy: -1931.919 where: short stacking energy: -755.613 Base-Backbone interact. energy: -1.129 local terms energy: -723.213407 where: bonds (distance) C4'-P energy: -117.517 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -106.677 tors. eta vs tors. theta energy: -216.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2595.344351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.344351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.344351 (E_RNA) where: Base-Base interactions energy: -1912.521 where: short stacking energy: -740.240 Base-Backbone interact. energy: -3.365 local terms energy: -679.457767 where: bonds (distance) C4'-P energy: -114.935 bonds (distance) P-C4' energy: -109.700 flat angles C4'-P-C4' energy: -143.677 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -207.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2539.375557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.375557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.375557 (E_RNA) where: Base-Base interactions energy: -1870.593 where: short stacking energy: -716.439 Base-Backbone interact. energy: -1.808 local terms energy: -666.974191 where: bonds (distance) C4'-P energy: -107.894 bonds (distance) P-C4' energy: -121.667 flat angles C4'-P-C4' energy: -132.277 flat angles P-C4'-P energy: -96.078 tors. eta vs tors. theta energy: -209.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2449.669398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.669398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.669398 (E_RNA) where: Base-Base interactions energy: -1787.208 where: short stacking energy: -695.208 Base-Backbone interact. energy: 0.084 local terms energy: -662.545731 where: bonds (distance) C4'-P energy: -109.697 bonds (distance) P-C4' energy: -110.451 flat angles C4'-P-C4' energy: -141.004 flat angles P-C4'-P energy: -90.124 tors. eta vs tors. theta energy: -211.271 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: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2426.603496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.603496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.603496 (E_RNA) where: Base-Base interactions energy: -1754.394 where: short stacking energy: -691.370 Base-Backbone interact. energy: -0.188 local terms energy: -672.022162 where: bonds (distance) C4'-P energy: -98.254 bonds (distance) P-C4' energy: -118.533 flat angles C4'-P-C4' energy: -146.770 flat angles P-C4'-P energy: -100.995 tors. eta vs tors. theta energy: -207.471 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: 250 Temperature: 1.150000 Total energy: -2343.157363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.157363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.157363 (E_RNA) where: Base-Base interactions energy: -1699.241 where: short stacking energy: -655.567 Base-Backbone interact. energy: -1.952 local terms energy: -641.963934 where: bonds (distance) C4'-P energy: -104.345 bonds (distance) P-C4' energy: -104.150 flat angles C4'-P-C4' energy: -138.225 flat angles P-C4'-P energy: -99.879 tors. eta vs tors. theta energy: -195.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2268.833494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.833494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.833494 (E_RNA) where: Base-Base interactions energy: -1643.623 where: short stacking energy: -635.993 Base-Backbone interact. energy: -3.444 local terms energy: -621.766048 where: bonds (distance) C4'-P energy: -102.186 bonds (distance) P-C4' energy: -116.755 flat angles C4'-P-C4' energy: -126.989 flat angles P-C4'-P energy: -83.714 tors. eta vs tors. theta energy: -192.122 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: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -2226.418067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.418067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.418067 (E_RNA) where: Base-Base interactions energy: -1636.120 where: short stacking energy: -632.769 Base-Backbone interact. energy: -1.290 local terms energy: -589.008250 where: bonds (distance) C4'-P energy: -96.481 bonds (distance) P-C4' energy: -91.856 flat angles C4'-P-C4' energy: -132.610 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: -189.441 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: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -2045.088515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.088515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.088515 (E_RNA) where: Base-Base interactions energy: -1507.582 where: short stacking energy: -577.602 Base-Backbone interact. energy: -0.097 local terms energy: -537.409668 where: bonds (distance) C4'-P energy: -94.138 bonds (distance) P-C4' energy: -88.402 flat angles C4'-P-C4' energy: -123.155 flat angles P-C4'-P energy: -68.599 tors. eta vs tors. theta energy: -163.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1751.588220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.588220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.588220 (E_RNA) where: Base-Base interactions energy: -1244.779 where: short stacking energy: -518.684 Base-Backbone interact. energy: -0.563 local terms energy: -506.245817 where: bonds (distance) C4'-P energy: -90.747 bonds (distance) P-C4' energy: -104.061 flat angles C4'-P-C4' energy: -109.157 flat angles P-C4'-P energy: -66.722 tors. eta vs tors. theta energy: -135.559 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2678.771884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.771884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.771884 (E_RNA) where: Base-Base interactions energy: -1970.528 where: short stacking energy: -777.892 Base-Backbone interact. energy: -0.511 local terms energy: -707.733079 where: bonds (distance) C4'-P energy: -123.727 bonds (distance) P-C4' energy: -120.121 flat angles C4'-P-C4' energy: -148.408 flat angles P-C4'-P energy: -91.290 tors. eta vs tors. theta energy: -224.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2580.995391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.995391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.995391 (E_RNA) where: Base-Base interactions energy: -1872.587 where: short stacking energy: -740.592 Base-Backbone interact. energy: -3.536 local terms energy: -704.872253 where: bonds (distance) C4'-P energy: -116.640 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -143.246 flat angles P-C4'-P energy: -102.344 tors. eta vs tors. theta energy: -215.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2555.469535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.469535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.469535 (E_RNA) where: Base-Base interactions energy: -1869.667 where: short stacking energy: -715.858 Base-Backbone interact. energy: -1.757 local terms energy: -684.045490 where: bonds (distance) C4'-P energy: -97.047 bonds (distance) P-C4' energy: -130.659 flat angles C4'-P-C4' energy: -146.040 flat angles P-C4'-P energy: -98.809 tors. eta vs tors. theta energy: -211.490 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: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2437.154954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.154954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.154954 (E_RNA) where: Base-Base interactions energy: -1789.375 where: short stacking energy: -686.060 Base-Backbone interact. energy: -3.961 local terms energy: -643.817974 where: bonds (distance) C4'-P energy: -104.285 bonds (distance) P-C4' energy: -118.608 flat angles C4'-P-C4' energy: -128.331 flat angles P-C4'-P energy: -88.682 tors. eta vs tors. theta energy: -203.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2417.313620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.313620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.313620 (E_RNA) where: Base-Base interactions energy: -1771.013 where: short stacking energy: -699.211 Base-Backbone interact. energy: -1.509 local terms energy: -644.791249 where: bonds (distance) C4'-P energy: -109.854 bonds (distance) P-C4' energy: -115.045 flat angles C4'-P-C4' energy: -137.020 flat angles P-C4'-P energy: -83.479 tors. eta vs tors. theta energy: -199.393 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: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2333.092177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.092177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.092177 (E_RNA) where: Base-Base interactions energy: -1702.324 where: short stacking energy: -690.755 Base-Backbone interact. energy: 1.218 local terms energy: -631.985725 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -103.339 flat angles C4'-P-C4' energy: -122.839 flat angles P-C4'-P energy: -99.222 tors. eta vs tors. theta energy: -198.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2291.345013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.345013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.345013 (E_RNA) where: Base-Base interactions energy: -1692.064 where: short stacking energy: -640.784 Base-Backbone interact. energy: -0.390 local terms energy: -598.890123 where: bonds (distance) C4'-P energy: -96.559 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -128.715 flat angles P-C4'-P energy: -82.956 tors. eta vs tors. theta energy: -190.682 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: 251 Temperature: 1.250000 Total energy: -2213.114474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.114474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.114474 (E_RNA) where: Base-Base interactions energy: -1618.530 where: short stacking energy: -626.861 Base-Backbone interact. energy: 0.239 local terms energy: -594.823849 where: bonds (distance) C4'-P energy: -108.642 bonds (distance) P-C4' energy: -101.442 flat angles C4'-P-C4' energy: -125.721 flat angles P-C4'-P energy: -79.261 tors. eta vs tors. theta energy: -179.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -2004.986568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.986568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.986568 (E_RNA) where: Base-Base interactions energy: -1469.017 where: short stacking energy: -559.356 Base-Backbone interact. energy: -0.414 local terms energy: -535.555262 where: bonds (distance) C4'-P energy: -83.629 bonds (distance) P-C4' energy: -87.900 flat angles C4'-P-C4' energy: -125.857 flat angles P-C4'-P energy: -74.611 tors. eta vs tors. theta energy: -163.558 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: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1721.464030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.464030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.464030 (E_RNA) where: Base-Base interactions energy: -1237.519 where: short stacking energy: -472.538 Base-Backbone interact. energy: 3.224 local terms energy: -487.168858 where: bonds (distance) C4'-P energy: -106.311 bonds (distance) P-C4' energy: -96.845 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -69.090 tors. eta vs tors. theta energy: -120.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2660.823357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.823357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.823357 (E_RNA) where: Base-Base interactions energy: -1943.479 where: short stacking energy: -761.979 Base-Backbone interact. energy: -0.262 local terms energy: -717.082405 where: bonds (distance) C4'-P energy: -114.384 bonds (distance) P-C4' energy: -124.954 flat angles C4'-P-C4' energy: -148.034 flat angles P-C4'-P energy: -102.092 tors. eta vs tors. theta energy: -227.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2612.709891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.709891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.709891 (E_RNA) where: Base-Base interactions energy: -1901.748 where: short stacking energy: -711.835 Base-Backbone interact. energy: -1.325 local terms energy: -709.636562 where: bonds (distance) C4'-P energy: -132.587 bonds (distance) P-C4' energy: -120.231 flat angles C4'-P-C4' energy: -146.560 flat angles P-C4'-P energy: -100.704 tors. eta vs tors. theta energy: -209.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2556.064896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.064896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.064896 (E_RNA) where: Base-Base interactions energy: -1884.926 where: short stacking energy: -722.623 Base-Backbone interact. energy: -1.195 local terms energy: -669.943968 where: bonds (distance) C4'-P energy: -96.655 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -96.921 tors. eta vs tors. theta energy: -213.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2423.356120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.356120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.356120 (E_RNA) where: Base-Base interactions energy: -1761.829 where: short stacking energy: -694.342 Base-Backbone interact. energy: -0.512 local terms energy: -661.014422 where: bonds (distance) C4'-P energy: -101.536 bonds (distance) P-C4' energy: -105.482 flat angles C4'-P-C4' energy: -142.068 flat angles P-C4'-P energy: -103.848 tors. eta vs tors. theta energy: -208.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2407.386524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.386524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.386524 (E_RNA) where: Base-Base interactions energy: -1773.288 where: short stacking energy: -697.405 Base-Backbone interact. energy: -1.419 local terms energy: -632.679604 where: bonds (distance) C4'-P energy: -113.516 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -134.407 flat angles P-C4'-P energy: -83.466 tors. eta vs tors. theta energy: -208.775 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: 7 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2341.156347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.156347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.156347 (E_RNA) where: Base-Base interactions energy: -1721.953 where: short stacking energy: -679.511 Base-Backbone interact. energy: 1.947 local terms energy: -621.150459 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -106.875 flat angles C4'-P-C4' energy: -135.907 flat angles P-C4'-P energy: -92.480 tors. eta vs tors. theta energy: -195.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2287.941717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.941717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.941717 (E_RNA) where: Base-Base interactions energy: -1669.182 where: short stacking energy: -652.017 Base-Backbone interact. energy: -2.369 local terms energy: -616.390493 where: bonds (distance) C4'-P energy: -105.194 bonds (distance) P-C4' energy: -112.233 flat angles C4'-P-C4' energy: -130.385 flat angles P-C4'-P energy: -79.128 tors. eta vs tors. theta energy: -189.452 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: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -2211.755495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.755495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.755495 (E_RNA) where: Base-Base interactions energy: -1616.276 where: short stacking energy: -614.288 Base-Backbone interact. energy: -0.976 local terms energy: -594.503470 where: bonds (distance) C4'-P energy: -99.811 bonds (distance) P-C4' energy: -106.092 flat angles C4'-P-C4' energy: -134.798 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -183.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -2014.831961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.831961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.831961 (E_RNA) where: Base-Base interactions energy: -1476.826 where: short stacking energy: -568.370 Base-Backbone interact. energy: 1.836 local terms energy: -539.842354 where: bonds (distance) C4'-P energy: -86.109 bonds (distance) P-C4' energy: -104.930 flat angles C4'-P-C4' energy: -116.497 flat angles P-C4'-P energy: -73.003 tors. eta vs tors. theta energy: -159.304 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: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1779.421673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.421673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.421673 (E_RNA) where: Base-Base interactions energy: -1227.509 where: short stacking energy: -485.191 Base-Backbone interact. energy: 0.739 local terms energy: -552.651721 where: bonds (distance) C4'-P energy: -111.099 bonds (distance) P-C4' energy: -114.217 flat angles C4'-P-C4' energy: -122.394 flat angles P-C4'-P energy: -73.614 tors. eta vs tors. theta energy: -131.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2679.714045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.714045 (E_RNA) where: Base-Base interactions energy: -1964.027 where: short stacking energy: -757.137 Base-Backbone interact. energy: 1.699 local terms energy: -717.386119 where: bonds (distance) C4'-P energy: -125.283 bonds (distance) P-C4' energy: -117.220 flat angles C4'-P-C4' energy: -143.087 flat angles P-C4'-P energy: -111.171 tors. eta vs tors. theta energy: -220.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2601.205626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.205626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.205626 (E_RNA) where: Base-Base interactions energy: -1885.932 where: short stacking energy: -726.496 Base-Backbone interact. energy: -0.984 local terms energy: -714.289963 where: bonds (distance) C4'-P energy: -122.368 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -149.967 flat angles P-C4'-P energy: -107.149 tors. eta vs tors. theta energy: -211.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2562.337728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.337728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.337728 (E_RNA) where: Base-Base interactions energy: -1879.355 where: short stacking energy: -716.885 Base-Backbone interact. energy: -0.885 local terms energy: -682.097703 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -121.228 flat angles C4'-P-C4' energy: -140.727 flat angles P-C4'-P energy: -99.649 tors. eta vs tors. theta energy: -212.235 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: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2478.335707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.335707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.335707 (E_RNA) where: Base-Base interactions energy: -1774.941 where: short stacking energy: -717.612 Base-Backbone interact. energy: -0.110 local terms energy: -703.285048 where: bonds (distance) C4'-P energy: -132.423 bonds (distance) P-C4' energy: -117.034 flat angles C4'-P-C4' energy: -137.366 flat angles P-C4'-P energy: -96.521 tors. eta vs tors. theta energy: -219.941 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: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2410.494035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.494035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.494035 (E_RNA) where: Base-Base interactions energy: -1755.218 where: short stacking energy: -668.872 Base-Backbone interact. energy: -1.293 local terms energy: -653.982663 where: bonds (distance) C4'-P energy: -100.174 bonds (distance) P-C4' energy: -118.517 flat angles C4'-P-C4' energy: -137.254 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -198.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2315.374963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.374963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.374963 (E_RNA) where: Base-Base interactions energy: -1696.230 where: short stacking energy: -665.628 Base-Backbone interact. energy: -0.557 local terms energy: -618.588774 where: bonds (distance) C4'-P energy: -96.899 bonds (distance) P-C4' energy: -115.239 flat angles C4'-P-C4' energy: -133.873 flat angles P-C4'-P energy: -80.855 tors. eta vs tors. theta energy: -191.722 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: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2313.127507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.127507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.127507 (E_RNA) where: Base-Base interactions energy: -1671.678 where: short stacking energy: -670.763 Base-Backbone interact. energy: 0.313 local terms energy: -641.762131 where: bonds (distance) C4'-P energy: -108.661 bonds (distance) P-C4' energy: -110.077 flat angles C4'-P-C4' energy: -137.201 flat angles P-C4'-P energy: -86.471 tors. eta vs tors. theta energy: -199.352 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: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2210.868745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.868745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.868745 (E_RNA) where: Base-Base interactions energy: -1627.995 where: short stacking energy: -636.507 Base-Backbone interact. energy: -1.340 local terms energy: -581.533044 where: bonds (distance) C4'-P energy: -96.792 bonds (distance) P-C4' energy: -92.763 flat angles C4'-P-C4' energy: -134.945 flat angles P-C4'-P energy: -75.994 tors. eta vs tors. theta energy: -181.038 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: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1949.994846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.994846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.994846 (E_RNA) where: Base-Base interactions energy: -1432.115 where: short stacking energy: -551.149 Base-Backbone interact. energy: -2.872 local terms energy: -515.008557 where: bonds (distance) C4'-P energy: -95.551 bonds (distance) P-C4' energy: -94.336 flat angles C4'-P-C4' energy: -102.313 flat angles P-C4'-P energy: -66.355 tors. eta vs tors. theta energy: -156.453 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: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1691.058661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.058661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.058661 (E_RNA) where: Base-Base interactions energy: -1224.556 where: short stacking energy: -485.359 Base-Backbone interact. energy: -1.948 local terms energy: -464.554553 where: bonds (distance) C4'-P energy: -90.703 bonds (distance) P-C4' energy: -93.228 flat angles C4'-P-C4' energy: -105.396 flat angles P-C4'-P energy: -48.342 tors. eta vs tors. theta energy: -126.886 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: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2658.136928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.136928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.136928 (E_RNA) where: Base-Base interactions energy: -1929.048 where: short stacking energy: -749.474 Base-Backbone interact. energy: -0.918 local terms energy: -728.170453 where: bonds (distance) C4'-P energy: -130.457 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -149.444 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -219.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2586.806571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.806571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.806571 (E_RNA) where: Base-Base interactions energy: -1851.826 where: short stacking energy: -708.886 Base-Backbone interact. energy: 0.238 local terms energy: -735.218344 where: bonds (distance) C4'-P energy: -125.051 bonds (distance) P-C4' energy: -140.221 flat angles C4'-P-C4' energy: -148.328 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -214.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2563.072941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.072941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.072941 (E_RNA) where: Base-Base interactions energy: -1838.784 where: short stacking energy: -700.778 Base-Backbone interact. energy: -1.970 local terms energy: -722.318999 where: bonds (distance) C4'-P energy: -122.380 bonds (distance) P-C4' energy: -128.123 flat angles C4'-P-C4' energy: -153.068 flat angles P-C4'-P energy: -103.315 tors. eta vs tors. theta energy: -215.433 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: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2491.018647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.018647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.018647 (E_RNA) where: Base-Base interactions energy: -1787.615 where: short stacking energy: -703.862 Base-Backbone interact. energy: 1.446 local terms energy: -704.848795 where: bonds (distance) C4'-P energy: -124.663 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -147.366 flat angles P-C4'-P energy: -99.677 tors. eta vs tors. theta energy: -211.463 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: 254 Temperature: 1.100000 Total energy: -2432.056203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.056203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.056203 (E_RNA) where: Base-Base interactions energy: -1774.345 where: short stacking energy: -680.860 Base-Backbone interact. energy: -1.461 local terms energy: -656.249887 where: bonds (distance) C4'-P energy: -109.438 bonds (distance) P-C4' energy: -110.324 flat angles C4'-P-C4' energy: -138.800 flat angles P-C4'-P energy: -97.261 tors. eta vs tors. theta energy: -200.427 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: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2382.505006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.505006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.505006 (E_RNA) where: Base-Base interactions energy: -1746.223 where: short stacking energy: -676.443 Base-Backbone interact. energy: -2.908 local terms energy: -633.374154 where: bonds (distance) C4'-P energy: -112.443 bonds (distance) P-C4' energy: -104.593 flat angles C4'-P-C4' energy: -132.682 flat angles P-C4'-P energy: -91.520 tors. eta vs tors. theta energy: -192.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2295.004742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.004742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.004742 (E_RNA) where: Base-Base interactions energy: -1682.482 where: short stacking energy: -651.185 Base-Backbone interact. energy: -0.424 local terms energy: -612.098934 where: bonds (distance) C4'-P energy: -105.530 bonds (distance) P-C4' energy: -106.147 flat angles C4'-P-C4' energy: -128.963 flat angles P-C4'-P energy: -82.750 tors. eta vs tors. theta energy: -188.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -2209.961904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.961904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.961904 (E_RNA) where: Base-Base interactions energy: -1614.160 where: short stacking energy: -642.774 Base-Backbone interact. energy: -1.649 local terms energy: -594.152773 where: bonds (distance) C4'-P energy: -103.440 bonds (distance) P-C4' energy: -101.366 flat angles C4'-P-C4' energy: -126.233 flat angles P-C4'-P energy: -79.989 tors. eta vs tors. theta energy: -183.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1954.926446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.926446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.926446 (E_RNA) where: Base-Base interactions energy: -1422.690 where: short stacking energy: -549.360 Base-Backbone interact. energy: -0.253 local terms energy: -531.983485 where: bonds (distance) C4'-P energy: -92.099 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -121.124 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -157.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1689.019004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.019004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.019004 (E_RNA) where: Base-Base interactions energy: -1184.042 where: short stacking energy: -452.029 Base-Backbone interact. energy: -0.791 local terms energy: -504.186401 where: bonds (distance) C4'-P energy: -92.357 bonds (distance) P-C4' energy: -91.532 flat angles C4'-P-C4' energy: -121.237 flat angles P-C4'-P energy: -73.677 tors. eta vs tors. theta energy: -125.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2650.536921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.536921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.536921 (E_RNA) where: Base-Base interactions energy: -1925.989 where: short stacking energy: -736.505 Base-Backbone interact. energy: -1.059 local terms energy: -723.488979 where: bonds (distance) C4'-P energy: -124.220 bonds (distance) P-C4' energy: -124.090 flat angles C4'-P-C4' energy: -145.180 flat angles P-C4'-P energy: -104.748 tors. eta vs tors. theta energy: -225.251 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: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2626.896435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.896435 (E_RNA) where: Base-Base interactions energy: -1934.448 where: short stacking energy: -752.269 Base-Backbone interact. energy: -2.309 local terms energy: -690.139668 where: bonds (distance) C4'-P energy: -105.408 bonds (distance) P-C4' energy: -106.278 flat angles C4'-P-C4' energy: -147.390 flat angles P-C4'-P energy: -113.031 tors. eta vs tors. theta energy: -218.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2584.672030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.672030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.672030 (E_RNA) where: Base-Base interactions energy: -1907.789 where: short stacking energy: -737.490 Base-Backbone interact. energy: -2.590 local terms energy: -674.293182 where: bonds (distance) C4'-P energy: -115.412 bonds (distance) P-C4' energy: -105.669 flat angles C4'-P-C4' energy: -143.428 flat angles P-C4'-P energy: -93.904 tors. eta vs tors. theta energy: -215.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2456.739858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.739858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.739858 (E_RNA) where: Base-Base interactions energy: -1786.754 where: short stacking energy: -702.737 Base-Backbone interact. energy: -0.044 local terms energy: -669.941775 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -120.944 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -89.057 tors. eta vs tors. theta energy: -200.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2415.163921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.163921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.163921 (E_RNA) where: Base-Base interactions energy: -1756.300 where: short stacking energy: -679.884 Base-Backbone interact. energy: 0.972 local terms energy: -659.836280 where: bonds (distance) C4'-P energy: -120.948 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -135.983 flat angles P-C4'-P energy: -100.754 tors. eta vs tors. theta energy: -196.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2365.595422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.595422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.595422 (E_RNA) where: Base-Base interactions energy: -1719.501 where: short stacking energy: -661.585 Base-Backbone interact. energy: -1.794 local terms energy: -644.300655 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -139.267 flat angles P-C4'-P energy: -76.663 tors. eta vs tors. theta energy: -208.526 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: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2343.216857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.216857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.216857 (E_RNA) where: Base-Base interactions energy: -1703.699 where: short stacking energy: -679.488 Base-Backbone interact. energy: -0.530 local terms energy: -638.987819 where: bonds (distance) C4'-P energy: -111.092 bonds (distance) P-C4' energy: -110.056 flat angles C4'-P-C4' energy: -132.957 flat angles P-C4'-P energy: -83.500 tors. eta vs tors. theta energy: -201.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2224.770406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.770406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.770406 (E_RNA) where: Base-Base interactions energy: -1611.893 where: short stacking energy: -628.726 Base-Backbone interact. energy: 0.075 local terms energy: -612.952046 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -107.661 flat angles C4'-P-C4' energy: -122.703 flat angles P-C4'-P energy: -88.426 tors. eta vs tors. theta energy: -184.743 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: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1973.983231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.983231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.983231 (E_RNA) where: Base-Base interactions energy: -1434.600 where: short stacking energy: -557.966 Base-Backbone interact. energy: 0.742 local terms energy: -540.125046 where: bonds (distance) C4'-P energy: -101.945 bonds (distance) P-C4' energy: -91.055 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -81.890 tors. eta vs tors. theta energy: -148.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1725.961967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.961967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.961967 (E_RNA) where: Base-Base interactions energy: -1245.320 where: short stacking energy: -495.303 Base-Backbone interact. energy: 1.220 local terms energy: -481.862172 where: bonds (distance) C4'-P energy: -79.761 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -109.915 flat angles P-C4'-P energy: -64.719 tors. eta vs tors. theta energy: -130.325 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: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2657.438173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.438173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.438173 (E_RNA) where: Base-Base interactions energy: -1933.987 where: short stacking energy: -751.530 Base-Backbone interact. energy: -0.365 local terms energy: -723.085995 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -134.144 flat angles C4'-P-C4' energy: -146.676 flat angles P-C4'-P energy: -104.896 tors. eta vs tors. theta energy: -214.858 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: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2639.631449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.631449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.631449 (E_RNA) where: Base-Base interactions energy: -1908.909 where: short stacking energy: -744.556 Base-Backbone interact. energy: -1.265 local terms energy: -729.457438 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -120.223 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -110.329 tors. eta vs tors. theta energy: -224.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2555.061061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.061061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.061061 (E_RNA) where: Base-Base interactions energy: -1878.102 where: short stacking energy: -717.096 Base-Backbone interact. energy: -1.675 local terms energy: -675.284766 where: bonds (distance) C4'-P energy: -109.716 bonds (distance) P-C4' energy: -108.993 flat angles C4'-P-C4' energy: -147.068 flat angles P-C4'-P energy: -104.224 tors. eta vs tors. theta energy: -205.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2478.733958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.733958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.733958 (E_RNA) where: Base-Base interactions energy: -1818.943 where: short stacking energy: -716.483 Base-Backbone interact. energy: -2.357 local terms energy: -657.433954 where: bonds (distance) C4'-P energy: -96.372 bonds (distance) P-C4' energy: -115.663 flat angles C4'-P-C4' energy: -139.546 flat angles P-C4'-P energy: -88.686 tors. eta vs tors. theta energy: -217.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2408.380759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.380759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.380759 (E_RNA) where: Base-Base interactions energy: -1764.059 where: short stacking energy: -672.780 Base-Backbone interact. energy: -0.323 local terms energy: -643.998738 where: bonds (distance) C4'-P energy: -113.817 bonds (distance) P-C4' energy: -106.683 flat angles C4'-P-C4' energy: -143.925 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -195.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2394.867895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.867895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.867895 (E_RNA) where: Base-Base interactions energy: -1749.350 where: short stacking energy: -673.744 Base-Backbone interact. energy: 0.951 local terms energy: -646.468324 where: bonds (distance) C4'-P energy: -107.787 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -125.143 flat angles P-C4'-P energy: -91.076 tors. eta vs tors. theta energy: -201.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2295.139415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.139415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.139415 (E_RNA) where: Base-Base interactions energy: -1688.175 where: short stacking energy: -681.450 Base-Backbone interact. energy: -1.291 local terms energy: -605.672934 where: bonds (distance) C4'-P energy: -101.060 bonds (distance) P-C4' energy: -101.261 flat angles C4'-P-C4' energy: -131.152 flat angles P-C4'-P energy: -73.180 tors. eta vs tors. theta energy: -199.020 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: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2175.593408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.593408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.593408 (E_RNA) where: Base-Base interactions energy: -1606.445 where: short stacking energy: -636.887 Base-Backbone interact. energy: -0.749 local terms energy: -568.399328 where: bonds (distance) C4'-P energy: -88.202 bonds (distance) P-C4' energy: -92.459 flat angles C4'-P-C4' energy: -128.834 flat angles P-C4'-P energy: -68.949 tors. eta vs tors. theta energy: -189.956 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: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1943.013662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.013662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.013662 (E_RNA) where: Base-Base interactions energy: -1430.324 where: short stacking energy: -537.528 Base-Backbone interact. energy: 5.444 local terms energy: -518.133525 where: bonds (distance) C4'-P energy: -83.976 bonds (distance) P-C4' energy: -84.709 flat angles C4'-P-C4' energy: -120.358 flat angles P-C4'-P energy: -79.188 tors. eta vs tors. theta energy: -149.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1675.256372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.256372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.256372 (E_RNA) where: Base-Base interactions energy: -1181.638 where: short stacking energy: -462.995 Base-Backbone interact. energy: -0.489 local terms energy: -493.128969 where: bonds (distance) C4'-P energy: -100.631 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -115.184 flat angles P-C4'-P energy: -64.453 tors. eta vs tors. theta energy: -120.553 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: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2676.509089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.509089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.509089 (E_RNA) where: Base-Base interactions energy: -1953.045 where: short stacking energy: -758.774 Base-Backbone interact. energy: -0.631 local terms energy: -722.833302 where: bonds (distance) C4'-P energy: -118.591 bonds (distance) P-C4' energy: -121.454 flat angles C4'-P-C4' energy: -154.461 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -214.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2627.052660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.052660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.052660 (E_RNA) where: Base-Base interactions energy: -1913.583 where: short stacking energy: -751.094 Base-Backbone interact. energy: -3.472 local terms energy: -709.997929 where: bonds (distance) C4'-P energy: -125.695 bonds (distance) P-C4' energy: -112.676 flat angles C4'-P-C4' energy: -148.324 flat angles P-C4'-P energy: -100.851 tors. eta vs tors. theta energy: -222.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2544.522546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.522546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.522546 (E_RNA) where: Base-Base interactions energy: -1851.152 where: short stacking energy: -707.559 Base-Backbone interact. energy: 0.878 local terms energy: -694.249069 where: bonds (distance) C4'-P energy: -125.616 bonds (distance) P-C4' energy: -110.203 flat angles C4'-P-C4' energy: -142.470 flat angles P-C4'-P energy: -97.434 tors. eta vs tors. theta energy: -218.527 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: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2478.207059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.207059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.207059 (E_RNA) where: Base-Base interactions energy: -1788.855 where: short stacking energy: -692.025 Base-Backbone interact. energy: 1.717 local terms energy: -691.068485 where: bonds (distance) C4'-P energy: -126.778 bonds (distance) P-C4' energy: -112.459 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -103.763 tors. eta vs tors. theta energy: -204.322 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: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2413.012348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.012348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.012348 (E_RNA) where: Base-Base interactions energy: -1763.962 where: short stacking energy: -689.300 Base-Backbone interact. energy: -0.265 local terms energy: -648.785860 where: bonds (distance) C4'-P energy: -87.097 bonds (distance) P-C4' energy: -114.329 flat angles C4'-P-C4' energy: -138.133 flat angles P-C4'-P energy: -99.551 tors. eta vs tors. theta energy: -209.676 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: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2367.563139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.563139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.563139 (E_RNA) where: Base-Base interactions energy: -1737.557 where: short stacking energy: -675.644 Base-Backbone interact. energy: -1.856 local terms energy: -628.150300 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -93.514 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -100.502 tors. eta vs tors. theta energy: -193.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2311.261611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.261611 (E_RNA) where: Base-Base interactions energy: -1703.382 where: short stacking energy: -645.762 Base-Backbone interact. energy: -0.097 local terms energy: -607.783131 where: bonds (distance) C4'-P energy: -91.937 bonds (distance) P-C4' energy: -104.467 flat angles C4'-P-C4' energy: -127.948 flat angles P-C4'-P energy: -84.449 tors. eta vs tors. theta energy: -198.982 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: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2192.334933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.334933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.334933 (E_RNA) where: Base-Base interactions energy: -1604.032 where: short stacking energy: -630.738 Base-Backbone interact. energy: 2.185 local terms energy: -590.487558 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -106.073 flat angles C4'-P-C4' energy: -122.899 flat angles P-C4'-P energy: -77.815 tors. eta vs tors. theta energy: -184.055 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: 257 Temperature: 1.300000 Total energy: -1970.805709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.805709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.805709 (E_RNA) where: Base-Base interactions energy: -1441.571 where: short stacking energy: -552.536 Base-Backbone interact. energy: 3.500 local terms energy: -532.735324 where: bonds (distance) C4'-P energy: -94.935 bonds (distance) P-C4' energy: -100.643 flat angles C4'-P-C4' energy: -106.684 flat angles P-C4'-P energy: -73.319 tors. eta vs tors. theta energy: -157.154 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: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1613.538435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.538435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.538435 (E_RNA) where: Base-Base interactions energy: -1128.640 where: short stacking energy: -449.856 Base-Backbone interact. energy: -0.309 local terms energy: -484.589687 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -104.834 flat angles C4'-P-C4' energy: -124.576 flat angles P-C4'-P energy: -58.226 tors. eta vs tors. theta energy: -110.138 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: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2660.015021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.015021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.015021 (E_RNA) where: Base-Base interactions energy: -1948.178 where: short stacking energy: -748.113 Base-Backbone interact. energy: -0.584 local terms energy: -711.252532 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -126.217 flat angles C4'-P-C4' energy: -154.687 flat angles P-C4'-P energy: -99.345 tors. eta vs tors. theta energy: -213.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2636.552788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.552788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.552788 (E_RNA) where: Base-Base interactions energy: -1932.162 where: short stacking energy: -747.548 Base-Backbone interact. energy: -1.934 local terms energy: -702.457183 where: bonds (distance) C4'-P energy: -118.894 bonds (distance) P-C4' energy: -109.941 flat angles C4'-P-C4' energy: -149.393 flat angles P-C4'-P energy: -101.959 tors. eta vs tors. theta energy: -222.269 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: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2552.279518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.279518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.279518 (E_RNA) where: Base-Base interactions energy: -1854.914 where: short stacking energy: -706.621 Base-Backbone interact. energy: -2.407 local terms energy: -694.958303 where: bonds (distance) C4'-P energy: -117.528 bonds (distance) P-C4' energy: -125.104 flat angles C4'-P-C4' energy: -142.390 flat angles P-C4'-P energy: -99.811 tors. eta vs tors. theta energy: -210.125 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: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2453.621887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.621887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.621887 (E_RNA) where: Base-Base interactions energy: -1778.598 where: short stacking energy: -682.624 Base-Backbone interact. energy: 3.221 local terms energy: -678.245246 where: bonds (distance) C4'-P energy: -110.189 bonds (distance) P-C4' energy: -130.932 flat angles C4'-P-C4' energy: -138.143 flat angles P-C4'-P energy: -97.047 tors. eta vs tors. theta energy: -201.935 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: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2428.879743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.879743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.879743 (E_RNA) where: Base-Base interactions energy: -1788.889 where: short stacking energy: -683.302 Base-Backbone interact. energy: -0.449 local terms energy: -639.541677 where: bonds (distance) C4'-P energy: -95.682 bonds (distance) P-C4' energy: -118.720 flat angles C4'-P-C4' energy: -132.864 flat angles P-C4'-P energy: -89.981 tors. eta vs tors. theta energy: -202.295 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: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2367.057213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.057213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.057213 (E_RNA) where: Base-Base interactions energy: -1756.391 where: short stacking energy: -670.857 Base-Backbone interact. energy: 2.376 local terms energy: -613.042591 where: bonds (distance) C4'-P energy: -96.082 bonds (distance) P-C4' energy: -106.999 flat angles C4'-P-C4' energy: -122.273 flat angles P-C4'-P energy: -85.866 tors. eta vs tors. theta energy: -201.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2330.309358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.309358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.309358 (E_RNA) where: Base-Base interactions energy: -1712.651 where: short stacking energy: -673.420 Base-Backbone interact. energy: -2.279 local terms energy: -615.379304 where: bonds (distance) C4'-P energy: -92.774 bonds (distance) P-C4' energy: -110.152 flat angles C4'-P-C4' energy: -131.353 flat angles P-C4'-P energy: -80.757 tors. eta vs tors. theta energy: -200.343 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -2174.394049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.394049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.394049 (E_RNA) where: Base-Base interactions energy: -1578.266 where: short stacking energy: -610.608 Base-Backbone interact. energy: -2.223 local terms energy: -593.904390 where: bonds (distance) C4'-P energy: -79.526 bonds (distance) P-C4' energy: -95.505 flat angles C4'-P-C4' energy: -125.885 flat angles P-C4'-P energy: -97.373 tors. eta vs tors. theta energy: -195.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1954.860520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.860520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.860520 (E_RNA) where: Base-Base interactions energy: -1392.544 where: short stacking energy: -540.156 Base-Backbone interact. energy: -0.632 local terms energy: -561.683785 where: bonds (distance) C4'-P energy: -112.255 bonds (distance) P-C4' energy: -106.043 flat angles C4'-P-C4' energy: -127.900 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: -154.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1583.689654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.689654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.689654 (E_RNA) where: Base-Base interactions energy: -1088.870 where: short stacking energy: -460.348 Base-Backbone interact. energy: -1.974 local terms energy: -492.845059 where: bonds (distance) C4'-P energy: -97.048 bonds (distance) P-C4' energy: -106.509 flat angles C4'-P-C4' energy: -115.529 flat angles P-C4'-P energy: -69.726 tors. eta vs tors. theta energy: -104.033 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: 259 Temperature: 0.900000 Total energy: -2675.538781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.538781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.538781 (E_RNA) where: Base-Base interactions energy: -1955.040 where: short stacking energy: -757.153 Base-Backbone interact. energy: -1.136 local terms energy: -719.362519 where: bonds (distance) C4'-P energy: -129.161 bonds (distance) P-C4' energy: -120.370 flat angles C4'-P-C4' energy: -143.899 flat angles P-C4'-P energy: -100.711 tors. eta vs tors. theta energy: -225.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2588.572276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.572276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.572276 (E_RNA) where: Base-Base interactions energy: -1892.566 where: short stacking energy: -743.856 Base-Backbone interact. energy: -1.870 local terms energy: -694.136678 where: bonds (distance) C4'-P energy: -101.952 bonds (distance) P-C4' energy: -119.464 flat angles C4'-P-C4' energy: -144.688 flat angles P-C4'-P energy: -102.190 tors. eta vs tors. theta energy: -225.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2607.839109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.839109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.839109 (E_RNA) where: Base-Base interactions energy: -1905.710 where: short stacking energy: -751.441 Base-Backbone interact. energy: -2.802 local terms energy: -699.326978 where: bonds (distance) C4'-P energy: -111.351 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -140.702 flat angles P-C4'-P energy: -94.810 tors. eta vs tors. theta energy: -222.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2473.550295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.550295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.550295 (E_RNA) where: Base-Base interactions energy: -1800.975 where: short stacking energy: -695.902 Base-Backbone interact. energy: 1.820 local terms energy: -674.395745 where: bonds (distance) C4'-P energy: -113.964 bonds (distance) P-C4' energy: -117.610 flat angles C4'-P-C4' energy: -148.132 flat angles P-C4'-P energy: -96.201 tors. eta vs tors. theta energy: -198.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2396.383993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.383993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.383993 (E_RNA) where: Base-Base interactions energy: -1761.713 where: short stacking energy: -686.107 Base-Backbone interact. energy: 0.442 local terms energy: -635.113058 where: bonds (distance) C4'-P energy: -110.767 bonds (distance) P-C4' energy: -103.077 flat angles C4'-P-C4' energy: -136.350 flat angles P-C4'-P energy: -85.673 tors. eta vs tors. theta energy: -199.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2366.584542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.584542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.584542 (E_RNA) where: Base-Base interactions energy: -1698.849 where: short stacking energy: -679.122 Base-Backbone interact. energy: 0.048 local terms energy: -667.782922 where: bonds (distance) C4'-P energy: -105.189 bonds (distance) P-C4' energy: -112.968 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -97.471 tors. eta vs tors. theta energy: -205.571 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: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2340.794140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.794140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.794140 (E_RNA) where: Base-Base interactions energy: -1704.975 where: short stacking energy: -650.770 Base-Backbone interact. energy: -1.603 local terms energy: -634.216413 where: bonds (distance) C4'-P energy: -111.797 bonds (distance) P-C4' energy: -113.631 flat angles C4'-P-C4' energy: -125.992 flat angles P-C4'-P energy: -86.084 tors. eta vs tors. theta energy: -196.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -2196.119602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.119602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.119602 (E_RNA) where: Base-Base interactions energy: -1589.810 where: short stacking energy: -594.378 Base-Backbone interact. energy: 0.552 local terms energy: -606.861827 where: bonds (distance) C4'-P energy: -109.252 bonds (distance) P-C4' energy: -100.511 flat angles C4'-P-C4' energy: -136.443 flat angles P-C4'-P energy: -86.258 tors. eta vs tors. theta energy: -174.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1947.979577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.979577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.979577 (E_RNA) where: Base-Base interactions energy: -1425.506 where: short stacking energy: -545.730 Base-Backbone interact. energy: 2.318 local terms energy: -524.792170 where: bonds (distance) C4'-P energy: -74.570 bonds (distance) P-C4' energy: -107.947 flat angles C4'-P-C4' energy: -119.908 flat angles P-C4'-P energy: -83.002 tors. eta vs tors. theta energy: -139.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1582.488107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.488107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.488107 (E_RNA) where: Base-Base interactions energy: -1129.853 where: short stacking energy: -474.051 Base-Backbone interact. energy: -2.869 local terms energy: -449.766162 where: bonds (distance) C4'-P energy: -72.244 bonds (distance) P-C4' energy: -94.185 flat angles C4'-P-C4' energy: -88.342 flat angles P-C4'-P energy: -70.605 tors. eta vs tors. theta energy: -124.390 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: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2669.174384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.174384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.174384 (E_RNA) where: Base-Base interactions energy: -1952.497 where: short stacking energy: -772.147 Base-Backbone interact. energy: -1.082 local terms energy: -715.595242 where: bonds (distance) C4'-P energy: -117.398 bonds (distance) P-C4' energy: -132.562 flat angles C4'-P-C4' energy: -152.655 flat angles P-C4'-P energy: -97.143 tors. eta vs tors. theta energy: -215.836 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: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2588.919412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.919412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.919412 (E_RNA) where: Base-Base interactions energy: -1880.041 where: short stacking energy: -733.364 Base-Backbone interact. energy: -2.642 local terms energy: -706.237125 where: bonds (distance) C4'-P energy: -118.405 bonds (distance) P-C4' energy: -109.024 flat angles C4'-P-C4' energy: -150.713 flat angles P-C4'-P energy: -103.678 tors. eta vs tors. theta energy: -224.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2610.997319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.997319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.997319 (E_RNA) where: Base-Base interactions energy: -1911.041 where: short stacking energy: -747.672 Base-Backbone interact. energy: 0.213 local terms energy: -700.168962 where: bonds (distance) C4'-P energy: -112.121 bonds (distance) P-C4' energy: -115.496 flat angles C4'-P-C4' energy: -153.149 flat angles P-C4'-P energy: -103.683 tors. eta vs tors. theta energy: -215.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2465.785854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.785854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.785854 (E_RNA) where: Base-Base interactions energy: -1774.953 where: short stacking energy: -692.427 Base-Backbone interact. energy: -0.246 local terms energy: -690.586922 where: bonds (distance) C4'-P energy: -114.204 bonds (distance) P-C4' energy: -113.988 flat angles C4'-P-C4' energy: -149.563 flat angles P-C4'-P energy: -106.513 tors. eta vs tors. theta energy: -206.319 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: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2392.011646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.011646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.011646 (E_RNA) where: Base-Base interactions energy: -1743.274 where: short stacking energy: -663.722 Base-Backbone interact. energy: -0.506 local terms energy: -648.230946 where: bonds (distance) C4'-P energy: -107.860 bonds (distance) P-C4' energy: -115.282 flat angles C4'-P-C4' energy: -142.916 flat angles P-C4'-P energy: -87.271 tors. eta vs tors. theta energy: -194.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2366.190558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.190558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.190558 (E_RNA) where: Base-Base interactions energy: -1713.410 where: short stacking energy: -678.140 Base-Backbone interact. energy: -0.650 local terms energy: -652.131142 where: bonds (distance) C4'-P energy: -114.174 bonds (distance) P-C4' energy: -113.704 flat angles C4'-P-C4' energy: -142.517 flat angles P-C4'-P energy: -86.115 tors. eta vs tors. theta energy: -195.622 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: 260 Temperature: 1.200000 Total energy: -2342.383967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.383967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.383967 (E_RNA) where: Base-Base interactions energy: -1712.866 where: short stacking energy: -682.748 Base-Backbone interact. energy: -3.164 local terms energy: -626.354294 where: bonds (distance) C4'-P energy: -83.748 bonds (distance) P-C4' energy: -109.818 flat angles C4'-P-C4' energy: -134.693 flat angles P-C4'-P energy: -94.963 tors. eta vs tors. theta energy: -203.133 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: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -2172.809186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.809186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.809186 (E_RNA) where: Base-Base interactions energy: -1567.722 where: short stacking energy: -605.248 Base-Backbone interact. energy: 2.632 local terms energy: -607.718732 where: bonds (distance) C4'-P energy: -103.135 bonds (distance) P-C4' energy: -102.200 flat angles C4'-P-C4' energy: -123.971 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -176.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1956.412177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.412177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.412177 (E_RNA) where: Base-Base interactions energy: -1398.689 where: short stacking energy: -538.027 Base-Backbone interact. energy: -0.007 local terms energy: -557.715539 where: bonds (distance) C4'-P energy: -95.173 bonds (distance) P-C4' energy: -106.797 flat angles C4'-P-C4' energy: -126.185 flat angles P-C4'-P energy: -87.440 tors. eta vs tors. theta energy: -142.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1643.791084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.791084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.791084 (E_RNA) where: Base-Base interactions energy: -1182.251 where: short stacking energy: -470.993 Base-Backbone interact. energy: -1.397 local terms energy: -460.142575 where: bonds (distance) C4'-P energy: -85.807 bonds (distance) P-C4' energy: -73.592 flat angles C4'-P-C4' energy: -118.989 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: -124.438 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: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2668.202872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.202872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.202872 (E_RNA) where: Base-Base interactions energy: -1963.226 where: short stacking energy: -749.866 Base-Backbone interact. energy: -1.157 local terms energy: -703.820528 where: bonds (distance) C4'-P energy: -109.997 bonds (distance) P-C4' energy: -134.897 flat angles C4'-P-C4' energy: -145.106 flat angles P-C4'-P energy: -100.049 tors. eta vs tors. theta energy: -213.772 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: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2594.264124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.264124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.264124 (E_RNA) where: Base-Base interactions energy: -1878.441 where: short stacking energy: -728.625 Base-Backbone interact. energy: -1.642 local terms energy: -714.180714 where: bonds (distance) C4'-P energy: -123.722 bonds (distance) P-C4' energy: -121.656 flat angles C4'-P-C4' energy: -146.347 flat angles P-C4'-P energy: -106.527 tors. eta vs tors. theta energy: -215.929 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: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2587.530309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.530309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.530309 (E_RNA) where: Base-Base interactions energy: -1893.744 where: short stacking energy: -724.164 Base-Backbone interact. energy: -2.064 local terms energy: -691.722021 where: bonds (distance) C4'-P energy: -114.610 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -146.431 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -216.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2445.587149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.587149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.587149 (E_RNA) where: Base-Base interactions energy: -1781.474 where: short stacking energy: -709.282 Base-Backbone interact. energy: -0.453 local terms energy: -663.660168 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -104.316 flat angles C4'-P-C4' energy: -133.326 flat angles P-C4'-P energy: -97.680 tors. eta vs tors. theta energy: -206.130 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: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2400.527692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.527692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.527692 (E_RNA) where: Base-Base interactions energy: -1759.959 where: short stacking energy: -661.593 Base-Backbone interact. energy: -0.797 local terms energy: -639.771691 where: bonds (distance) C4'-P energy: -119.291 bonds (distance) P-C4' energy: -95.811 flat angles C4'-P-C4' energy: -131.784 flat angles P-C4'-P energy: -90.622 tors. eta vs tors. theta energy: -202.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2363.422537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.422537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.422537 (E_RNA) where: Base-Base interactions energy: -1710.713 where: short stacking energy: -661.935 Base-Backbone interact. energy: -0.729 local terms energy: -651.980843 where: bonds (distance) C4'-P energy: -108.778 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -143.041 flat angles P-C4'-P energy: -89.565 tors. eta vs tors. theta energy: -199.683 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2375.016209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.016209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.016209 (E_RNA) where: Base-Base interactions energy: -1738.853 where: short stacking energy: -684.645 Base-Backbone interact. energy: -2.820 local terms energy: -633.342769 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -105.712 flat angles C4'-P-C4' energy: -136.161 flat angles P-C4'-P energy: -87.366 tors. eta vs tors. theta energy: -198.811 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: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -2225.945173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.945173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.945173 (E_RNA) where: Base-Base interactions energy: -1607.464 where: short stacking energy: -629.571 Base-Backbone interact. energy: -0.266 local terms energy: -618.215095 where: bonds (distance) C4'-P energy: -102.169 bonds (distance) P-C4' energy: -103.754 flat angles C4'-P-C4' energy: -126.750 flat angles P-C4'-P energy: -91.951 tors. eta vs tors. theta energy: -193.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1954.308615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.308615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.308615 (E_RNA) where: Base-Base interactions energy: -1408.175 where: short stacking energy: -544.786 Base-Backbone interact. energy: 0.056 local terms energy: -546.189387 where: bonds (distance) C4'-P energy: -87.133 bonds (distance) P-C4' energy: -97.348 flat angles C4'-P-C4' energy: -118.572 flat angles P-C4'-P energy: -89.854 tors. eta vs tors. theta energy: -153.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1626.574839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.574839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.574839 (E_RNA) where: Base-Base interactions energy: -1154.260 where: short stacking energy: -475.708 Base-Backbone interact. energy: -1.148 local terms energy: -471.166715 where: bonds (distance) C4'-P energy: -88.888 bonds (distance) P-C4' energy: -87.817 flat angles C4'-P-C4' energy: -111.982 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -110.968 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: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2688.265864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.265864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.265864 (E_RNA) where: Base-Base interactions energy: -1985.207 where: short stacking energy: -778.203 Base-Backbone interact. energy: 1.383 local terms energy: -704.441748 where: bonds (distance) C4'-P energy: -112.317 bonds (distance) P-C4' energy: -116.764 flat angles C4'-P-C4' energy: -150.850 flat angles P-C4'-P energy: -100.476 tors. eta vs tors. theta energy: -224.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2596.766030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.766030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.766030 (E_RNA) where: Base-Base interactions energy: -1861.898 where: short stacking energy: -725.457 Base-Backbone interact. energy: -2.297 local terms energy: -732.571026 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -135.372 flat angles C4'-P-C4' energy: -141.426 flat angles P-C4'-P energy: -104.255 tors. eta vs tors. theta energy: -217.930 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: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2603.088320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.088320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.088320 (E_RNA) where: Base-Base interactions energy: -1899.078 where: short stacking energy: -723.866 Base-Backbone interact. energy: -0.659 local terms energy: -703.351478 where: bonds (distance) C4'-P energy: -125.384 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -144.080 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -217.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2475.736607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.736607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.736607 (E_RNA) where: Base-Base interactions energy: -1794.204 where: short stacking energy: -709.308 Base-Backbone interact. energy: 0.785 local terms energy: -682.318289 where: bonds (distance) C4'-P energy: -103.256 bonds (distance) P-C4' energy: -114.222 flat angles C4'-P-C4' energy: -146.223 flat angles P-C4'-P energy: -109.442 tors. eta vs tors. theta energy: -209.176 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: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2393.886879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.886879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.886879 (E_RNA) where: Base-Base interactions energy: -1736.609 where: short stacking energy: -686.412 Base-Backbone interact. energy: -1.014 local terms energy: -656.263605 where: bonds (distance) C4'-P energy: -119.057 bonds (distance) P-C4' energy: -97.805 flat angles C4'-P-C4' energy: -144.230 flat angles P-C4'-P energy: -96.266 tors. eta vs tors. theta energy: -198.906 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: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2360.100733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.100733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.100733 (E_RNA) where: Base-Base interactions energy: -1742.365 where: short stacking energy: -665.242 Base-Backbone interact. energy: -3.807 local terms energy: -613.928457 where: bonds (distance) C4'-P energy: -110.610 bonds (distance) P-C4' energy: -103.329 flat angles C4'-P-C4' energy: -129.765 flat angles P-C4'-P energy: -79.709 tors. eta vs tors. theta energy: -190.515 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: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2313.561053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.561053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.561053 (E_RNA) where: Base-Base interactions energy: -1707.562 where: short stacking energy: -651.954 Base-Backbone interact. energy: 2.413 local terms energy: -608.412125 where: bonds (distance) C4'-P energy: -92.938 bonds (distance) P-C4' energy: -100.279 flat angles C4'-P-C4' energy: -126.356 flat angles P-C4'-P energy: -95.243 tors. eta vs tors. theta energy: -193.597 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: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -2226.195489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.195489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.195489 (E_RNA) where: Base-Base interactions energy: -1633.268 where: short stacking energy: -620.402 Base-Backbone interact. energy: -0.641 local terms energy: -592.286618 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -97.272 flat angles C4'-P-C4' energy: -132.004 flat angles P-C4'-P energy: -82.133 tors. eta vs tors. theta energy: -188.335 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: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1924.889788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.889788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.889788 (E_RNA) where: Base-Base interactions energy: -1383.815 where: short stacking energy: -549.521 Base-Backbone interact. energy: 0.291 local terms energy: -541.366039 where: bonds (distance) C4'-P energy: -93.750 bonds (distance) P-C4' energy: -110.111 flat angles C4'-P-C4' energy: -105.928 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: -159.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1685.041932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.041932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.041932 (E_RNA) where: Base-Base interactions energy: -1197.536 where: short stacking energy: -476.677 Base-Backbone interact. energy: -0.778 local terms energy: -486.727593 where: bonds (distance) C4'-P energy: -86.845 bonds (distance) P-C4' energy: -83.768 flat angles C4'-P-C4' energy: -113.544 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: -125.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2689.382504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.382504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.382504 (E_RNA) where: Base-Base interactions energy: -1979.715 where: short stacking energy: -764.735 Base-Backbone interact. energy: -0.830 local terms energy: -708.837579 where: bonds (distance) C4'-P energy: -119.702 bonds (distance) P-C4' energy: -122.594 flat angles C4'-P-C4' energy: -151.509 flat angles P-C4'-P energy: -99.723 tors. eta vs tors. theta energy: -215.309 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: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2617.322689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.322689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.322689 (E_RNA) where: Base-Base interactions energy: -1901.093 where: short stacking energy: -720.460 Base-Backbone interact. energy: -1.306 local terms energy: -714.923646 where: bonds (distance) C4'-P energy: -116.754 bonds (distance) P-C4' energy: -125.189 flat angles C4'-P-C4' energy: -145.530 flat angles P-C4'-P energy: -117.404 tors. eta vs tors. theta energy: -210.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2576.890566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.890566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.890566 (E_RNA) where: Base-Base interactions energy: -1894.303 where: short stacking energy: -727.668 Base-Backbone interact. energy: -1.178 local terms energy: -681.408706 where: bonds (distance) C4'-P energy: -118.607 bonds (distance) P-C4' energy: -111.036 flat angles C4'-P-C4' energy: -139.859 flat angles P-C4'-P energy: -100.739 tors. eta vs tors. theta energy: -211.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2463.421867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.421867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.421867 (E_RNA) where: Base-Base interactions energy: -1767.548 where: short stacking energy: -687.486 Base-Backbone interact. energy: -0.718 local terms energy: -695.155078 where: bonds (distance) C4'-P energy: -119.071 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -155.796 flat angles P-C4'-P energy: -105.659 tors. eta vs tors. theta energy: -203.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2431.129800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.129800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.129800 (E_RNA) where: Base-Base interactions energy: -1776.955 where: short stacking energy: -688.985 Base-Backbone interact. energy: 0.868 local terms energy: -655.042749 where: bonds (distance) C4'-P energy: -114.620 bonds (distance) P-C4' energy: -113.690 flat angles C4'-P-C4' energy: -130.589 flat angles P-C4'-P energy: -98.992 tors. eta vs tors. theta energy: -197.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2367.146092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.146092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.146092 (E_RNA) where: Base-Base interactions energy: -1718.527 where: short stacking energy: -674.563 Base-Backbone interact. energy: -2.079 local terms energy: -646.539833 where: bonds (distance) C4'-P energy: -113.741 bonds (distance) P-C4' energy: -108.247 flat angles C4'-P-C4' energy: -147.688 flat angles P-C4'-P energy: -85.207 tors. eta vs tors. theta energy: -191.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2329.477955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.477955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.477955 (E_RNA) where: Base-Base interactions energy: -1701.177 where: short stacking energy: -665.863 Base-Backbone interact. energy: -2.883 local terms energy: -625.418075 where: bonds (distance) C4'-P energy: -92.505 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -136.676 flat angles P-C4'-P energy: -85.830 tors. eta vs tors. theta energy: -195.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2230.779138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.779138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.779138 (E_RNA) where: Base-Base interactions energy: -1636.718 where: short stacking energy: -635.127 Base-Backbone interact. energy: -1.895 local terms energy: -592.166381 where: bonds (distance) C4'-P energy: -89.793 bonds (distance) P-C4' energy: -89.373 flat angles C4'-P-C4' energy: -139.830 flat angles P-C4'-P energy: -85.708 tors. eta vs tors. theta energy: -187.462 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: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1962.606171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.606171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.606171 (E_RNA) where: Base-Base interactions energy: -1426.720 where: short stacking energy: -565.744 Base-Backbone interact. energy: -0.928 local terms energy: -534.958197 where: bonds (distance) C4'-P energy: -93.949 bonds (distance) P-C4' energy: -93.649 flat angles C4'-P-C4' energy: -114.287 flat angles P-C4'-P energy: -74.165 tors. eta vs tors. theta energy: -158.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1714.851168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.851168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.851168 (E_RNA) where: Base-Base interactions energy: -1182.675 where: short stacking energy: -483.280 Base-Backbone interact. energy: 1.673 local terms energy: -533.849004 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -102.885 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -139.331 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: 1, replica: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2663.167053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.167053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.167053 (E_RNA) where: Base-Base interactions energy: -1979.380 where: short stacking energy: -761.467 Base-Backbone interact. energy: -1.546 local terms energy: -682.240879 where: bonds (distance) C4'-P energy: -116.390 bonds (distance) P-C4' energy: -115.675 flat angles C4'-P-C4' energy: -136.094 flat angles P-C4'-P energy: -97.049 tors. eta vs tors. theta energy: -217.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2630.148427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.148427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.148427 (E_RNA) where: Base-Base interactions energy: -1928.664 where: short stacking energy: -733.160 Base-Backbone interact. energy: -2.339 local terms energy: -699.145542 where: bonds (distance) C4'-P energy: -118.382 bonds (distance) P-C4' energy: -122.896 flat angles C4'-P-C4' energy: -138.999 flat angles P-C4'-P energy: -97.291 tors. eta vs tors. theta energy: -221.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2596.798837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.798837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.798837 (E_RNA) where: Base-Base interactions energy: -1904.154 where: short stacking energy: -742.167 Base-Backbone interact. energy: -2.878 local terms energy: -689.767060 where: bonds (distance) C4'-P energy: -118.871 bonds (distance) P-C4' energy: -109.559 flat angles C4'-P-C4' energy: -150.300 flat angles P-C4'-P energy: -93.422 tors. eta vs tors. theta energy: -217.615 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: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2467.357102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.357102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.357102 (E_RNA) where: Base-Base interactions energy: -1786.193 where: short stacking energy: -702.671 Base-Backbone interact. energy: -0.356 local terms energy: -680.808329 where: bonds (distance) C4'-P energy: -114.352 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -147.800 flat angles P-C4'-P energy: -94.201 tors. eta vs tors. theta energy: -214.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2423.313843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.313843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.313843 (E_RNA) where: Base-Base interactions energy: -1777.898 where: short stacking energy: -671.667 Base-Backbone interact. energy: -0.561 local terms energy: -644.853954 where: bonds (distance) C4'-P energy: -105.299 bonds (distance) P-C4' energy: -99.896 flat angles C4'-P-C4' energy: -133.259 flat angles P-C4'-P energy: -102.667 tors. eta vs tors. theta energy: -203.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2323.333317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.333317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.333317 (E_RNA) where: Base-Base interactions energy: -1687.859 where: short stacking energy: -651.988 Base-Backbone interact. energy: -2.587 local terms energy: -632.887334 where: bonds (distance) C4'-P energy: -115.278 bonds (distance) P-C4' energy: -95.883 flat angles C4'-P-C4' energy: -129.416 flat angles P-C4'-P energy: -96.487 tors. eta vs tors. theta energy: -195.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2315.366935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.366935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.366935 (E_RNA) where: Base-Base interactions energy: -1688.988 where: short stacking energy: -667.189 Base-Backbone interact. energy: -2.423 local terms energy: -623.955847 where: bonds (distance) C4'-P energy: -107.553 bonds (distance) P-C4' energy: -91.837 flat angles C4'-P-C4' energy: -129.948 flat angles P-C4'-P energy: -94.181 tors. eta vs tors. theta energy: -200.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2245.316846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.316846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.316846 (E_RNA) where: Base-Base interactions energy: -1659.624 where: short stacking energy: -648.570 Base-Backbone interact. energy: 0.673 local terms energy: -586.365721 where: bonds (distance) C4'-P energy: -99.372 bonds (distance) P-C4' energy: -91.948 flat angles C4'-P-C4' energy: -131.950 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: -190.982 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: 9, replica: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1914.453161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.453161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.453161 (E_RNA) where: Base-Base interactions energy: -1404.276 where: short stacking energy: -548.548 Base-Backbone interact. energy: 1.449 local terms energy: -511.626171 where: bonds (distance) C4'-P energy: -89.384 bonds (distance) P-C4' energy: -101.371 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -144.838 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: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1699.923138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.923138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.923138 (E_RNA) where: Base-Base interactions energy: -1196.829 where: short stacking energy: -490.952 Base-Backbone interact. energy: -2.517 local terms energy: -500.577746 where: bonds (distance) C4'-P energy: -106.746 bonds (distance) P-C4' energy: -89.038 flat angles C4'-P-C4' energy: -108.479 flat angles P-C4'-P energy: -55.153 tors. eta vs tors. theta energy: -141.162 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: 265 Temperature: 0.900000 Total energy: -2665.226410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.226410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.226410 (E_RNA) where: Base-Base interactions energy: -1948.348 where: short stacking energy: -763.426 Base-Backbone interact. energy: -0.898 local terms energy: -715.979977 where: bonds (distance) C4'-P energy: -132.061 bonds (distance) P-C4' energy: -114.317 flat angles C4'-P-C4' energy: -149.616 flat angles P-C4'-P energy: -100.692 tors. eta vs tors. theta energy: -219.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2635.165835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.165835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.165835 (E_RNA) where: Base-Base interactions energy: -1923.638 where: short stacking energy: -747.414 Base-Backbone interact. energy: 0.185 local terms energy: -711.712358 where: bonds (distance) C4'-P energy: -126.771 bonds (distance) P-C4' energy: -117.195 flat angles C4'-P-C4' energy: -143.926 flat angles P-C4'-P energy: -105.135 tors. eta vs tors. theta energy: -218.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2578.676957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.676957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.676957 (E_RNA) where: Base-Base interactions energy: -1873.249 where: short stacking energy: -747.418 Base-Backbone interact. energy: 2.199 local terms energy: -707.627431 where: bonds (distance) C4'-P energy: -117.893 bonds (distance) P-C4' energy: -110.308 flat angles C4'-P-C4' energy: -150.810 flat angles P-C4'-P energy: -108.710 tors. eta vs tors. theta energy: -219.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2483.461546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.461546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.461546 (E_RNA) where: Base-Base interactions energy: -1789.698 where: short stacking energy: -705.769 Base-Backbone interact. energy: 0.049 local terms energy: -693.812635 where: bonds (distance) C4'-P energy: -117.393 bonds (distance) P-C4' energy: -127.004 flat angles C4'-P-C4' energy: -142.037 flat angles P-C4'-P energy: -95.487 tors. eta vs tors. theta energy: -211.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2457.190420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.190420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.190420 (E_RNA) where: Base-Base interactions energy: -1804.699 where: short stacking energy: -698.677 Base-Backbone interact. energy: -0.869 local terms energy: -651.622012 where: bonds (distance) C4'-P energy: -109.229 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -136.274 flat angles P-C4'-P energy: -87.283 tors. eta vs tors. theta energy: -198.304 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: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2299.395686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.395686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.395686 (E_RNA) where: Base-Base interactions energy: -1692.422 where: short stacking energy: -648.649 Base-Backbone interact. energy: -0.566 local terms energy: -606.407750 where: bonds (distance) C4'-P energy: -99.218 bonds (distance) P-C4' energy: -108.943 flat angles C4'-P-C4' energy: -130.437 flat angles P-C4'-P energy: -81.452 tors. eta vs tors. theta energy: -186.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2296.821758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.821758 (E_RNA) where: Base-Base interactions energy: -1685.889 where: short stacking energy: -654.417 Base-Backbone interact. energy: 2.481 local terms energy: -613.413622 where: bonds (distance) C4'-P energy: -113.126 bonds (distance) P-C4' energy: -91.955 flat angles C4'-P-C4' energy: -135.953 flat angles P-C4'-P energy: -82.728 tors. eta vs tors. theta energy: -189.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -2248.562351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.562351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.562351 (E_RNA) where: Base-Base interactions energy: -1622.155 where: short stacking energy: -636.020 Base-Backbone interact. energy: 1.887 local terms energy: -628.294082 where: bonds (distance) C4'-P energy: -100.446 bonds (distance) P-C4' energy: -117.277 flat angles C4'-P-C4' energy: -122.791 flat angles P-C4'-P energy: -99.620 tors. eta vs tors. theta energy: -188.160 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: 9, replica: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1942.154527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.154527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.154527 (E_RNA) where: Base-Base interactions energy: -1389.696 where: short stacking energy: -529.868 Base-Backbone interact. energy: -2.729 local terms energy: -549.730118 where: bonds (distance) C4'-P energy: -95.393 bonds (distance) P-C4' energy: -100.539 flat angles C4'-P-C4' energy: -111.284 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -158.886 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: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1728.555619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.555619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.555619 (E_RNA) where: Base-Base interactions energy: -1246.132 where: short stacking energy: -495.224 Base-Backbone interact. energy: 2.281 local terms energy: -484.705244 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -81.910 flat angles C4'-P-C4' energy: -114.239 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -122.003 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: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2649.409822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.409822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.409822 (E_RNA) where: Base-Base interactions energy: -1932.682 where: short stacking energy: -742.214 Base-Backbone interact. energy: -2.470 local terms energy: -714.257845 where: bonds (distance) C4'-P energy: -120.330 bonds (distance) P-C4' energy: -132.393 flat angles C4'-P-C4' energy: -146.766 flat angles P-C4'-P energy: -98.351 tors. eta vs tors. theta energy: -216.418 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: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2626.316221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.316221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.316221 (E_RNA) where: Base-Base interactions energy: -1930.930 where: short stacking energy: -741.143 Base-Backbone interact. energy: -2.375 local terms energy: -693.011554 where: bonds (distance) C4'-P energy: -109.915 bonds (distance) P-C4' energy: -117.526 flat angles C4'-P-C4' energy: -145.602 flat angles P-C4'-P energy: -100.093 tors. eta vs tors. theta energy: -219.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2561.824466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.824466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.824466 (E_RNA) where: Base-Base interactions energy: -1875.114 where: short stacking energy: -737.536 Base-Backbone interact. energy: -0.157 local terms energy: -686.553499 where: bonds (distance) C4'-P energy: -120.932 bonds (distance) P-C4' energy: -111.567 flat angles C4'-P-C4' energy: -145.455 flat angles P-C4'-P energy: -92.826 tors. eta vs tors. theta energy: -215.774 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: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2479.060616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.060616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.060616 (E_RNA) where: Base-Base interactions energy: -1800.382 where: short stacking energy: -691.368 Base-Backbone interact. energy: 1.410 local terms energy: -680.088756 where: bonds (distance) C4'-P energy: -111.157 bonds (distance) P-C4' energy: -120.747 flat angles C4'-P-C4' energy: -138.700 flat angles P-C4'-P energy: -97.991 tors. eta vs tors. theta energy: -211.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2434.420073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.420073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.420073 (E_RNA) where: Base-Base interactions energy: -1752.514 where: short stacking energy: -682.756 Base-Backbone interact. energy: 1.024 local terms energy: -682.929736 where: bonds (distance) C4'-P energy: -116.073 bonds (distance) P-C4' energy: -118.315 flat angles C4'-P-C4' energy: -141.641 flat angles P-C4'-P energy: -106.227 tors. eta vs tors. theta energy: -200.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2324.387269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.387269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.387269 (E_RNA) where: Base-Base interactions energy: -1681.389 where: short stacking energy: -646.276 Base-Backbone interact. energy: -0.046 local terms energy: -642.952329 where: bonds (distance) C4'-P energy: -99.304 bonds (distance) P-C4' energy: -109.031 flat angles C4'-P-C4' energy: -122.501 flat angles P-C4'-P energy: -106.624 tors. eta vs tors. theta energy: -205.492 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: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2311.314337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.314337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.314337 (E_RNA) where: Base-Base interactions energy: -1697.872 where: short stacking energy: -658.919 Base-Backbone interact. energy: 4.389 local terms energy: -617.831582 where: bonds (distance) C4'-P energy: -82.116 bonds (distance) P-C4' energy: -122.264 flat angles C4'-P-C4' energy: -133.651 flat angles P-C4'-P energy: -86.219 tors. eta vs tors. theta energy: -193.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2220.605608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.605608 (E_RNA) where: Base-Base interactions energy: -1595.554 where: short stacking energy: -632.306 Base-Backbone interact. energy: 0.784 local terms energy: -625.835988 where: bonds (distance) C4'-P energy: -115.523 bonds (distance) P-C4' energy: -104.699 flat angles C4'-P-C4' energy: -119.898 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -188.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1896.771793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.771793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.771793 (E_RNA) where: Base-Base interactions energy: -1368.390 where: short stacking energy: -526.901 Base-Backbone interact. energy: 1.252 local terms energy: -529.633015 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -96.340 flat angles C4'-P-C4' energy: -111.432 flat angles P-C4'-P energy: -89.947 tors. eta vs tors. theta energy: -137.426 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: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1716.812172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.812172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.812172 (E_RNA) where: Base-Base interactions energy: -1251.818 where: short stacking energy: -512.621 Base-Backbone interact. energy: -1.895 local terms energy: -463.099184 where: bonds (distance) C4'-P energy: -80.833 bonds (distance) P-C4' energy: -76.231 flat angles C4'-P-C4' energy: -115.520 flat angles P-C4'-P energy: -62.237 tors. eta vs tors. theta energy: -128.279 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: 267 Temperature: 0.900000 Total energy: -2668.546121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.546121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.546121 (E_RNA) where: Base-Base interactions energy: -1934.260 where: short stacking energy: -760.197 Base-Backbone interact. energy: -0.885 local terms energy: -733.400635 where: bonds (distance) C4'-P energy: -125.377 bonds (distance) P-C4' energy: -132.933 flat angles C4'-P-C4' energy: -146.149 flat angles P-C4'-P energy: -110.183 tors. eta vs tors. theta energy: -218.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2644.361642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.361642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.361642 (E_RNA) where: Base-Base interactions energy: -1952.107 where: short stacking energy: -747.498 Base-Backbone interact. energy: 1.476 local terms energy: -693.731263 where: bonds (distance) C4'-P energy: -98.529 bonds (distance) P-C4' energy: -120.248 flat angles C4'-P-C4' energy: -140.042 flat angles P-C4'-P energy: -109.193 tors. eta vs tors. theta energy: -225.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2547.974101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.974101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.974101 (E_RNA) where: Base-Base interactions energy: -1884.303 where: short stacking energy: -708.820 Base-Backbone interact. energy: -2.595 local terms energy: -661.076476 where: bonds (distance) C4'-P energy: -101.052 bonds (distance) P-C4' energy: -114.554 flat angles C4'-P-C4' energy: -149.223 flat angles P-C4'-P energy: -87.086 tors. eta vs tors. theta energy: -209.163 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: 5 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2493.488683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.488683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.488683 (E_RNA) where: Base-Base interactions energy: -1801.865 where: short stacking energy: -702.226 Base-Backbone interact. energy: -0.976 local terms energy: -690.647033 where: bonds (distance) C4'-P energy: -117.790 bonds (distance) P-C4' energy: -122.774 flat angles C4'-P-C4' energy: -140.569 flat angles P-C4'-P energy: -103.307 tors. eta vs tors. theta energy: -206.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2398.766660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.766660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.766660 (E_RNA) where: Base-Base interactions energy: -1746.904 where: short stacking energy: -681.550 Base-Backbone interact. energy: -1.284 local terms energy: -650.579321 where: bonds (distance) C4'-P energy: -115.282 bonds (distance) P-C4' energy: -97.479 flat angles C4'-P-C4' energy: -147.340 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: -196.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2335.815390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.815390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.815390 (E_RNA) where: Base-Base interactions energy: -1689.461 where: short stacking energy: -674.851 Base-Backbone interact. energy: 0.790 local terms energy: -647.144072 where: bonds (distance) C4'-P energy: -107.497 bonds (distance) P-C4' energy: -109.701 flat angles C4'-P-C4' energy: -143.124 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -199.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2288.594701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.594701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.594701 (E_RNA) where: Base-Base interactions energy: -1628.283 where: short stacking energy: -644.882 Base-Backbone interact. energy: -1.897 local terms energy: -658.414417 where: bonds (distance) C4'-P energy: -118.753 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -92.867 tors. eta vs tors. theta energy: -196.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -2213.664729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.664729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.664729 (E_RNA) where: Base-Base interactions energy: -1597.940 where: short stacking energy: -613.465 Base-Backbone interact. energy: 0.495 local terms energy: -616.219645 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -112.893 flat angles C4'-P-C4' energy: -115.911 flat angles P-C4'-P energy: -90.554 tors. eta vs tors. theta energy: -179.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1928.588498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.588498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.588498 (E_RNA) where: Base-Base interactions energy: -1384.005 where: short stacking energy: -525.431 Base-Backbone interact. energy: 1.212 local terms energy: -545.795639 where: bonds (distance) C4'-P energy: -112.264 bonds (distance) P-C4' energy: -92.610 flat angles C4'-P-C4' energy: -121.881 flat angles P-C4'-P energy: -64.540 tors. eta vs tors. theta energy: -154.500 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: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1716.705015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.705015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.705015 (E_RNA) where: Base-Base interactions energy: -1222.020 where: short stacking energy: -511.244 Base-Backbone interact. energy: -0.446 local terms energy: -494.239134 where: bonds (distance) C4'-P energy: -98.500 bonds (distance) P-C4' energy: -90.289 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -64.456 tors. eta vs tors. theta energy: -127.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2665.171044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.171044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.171044 (E_RNA) where: Base-Base interactions energy: -1931.863 where: short stacking energy: -750.494 Base-Backbone interact. energy: -0.880 local terms energy: -732.428222 where: bonds (distance) C4'-P energy: -129.851 bonds (distance) P-C4' energy: -138.857 flat angles C4'-P-C4' energy: -151.539 flat angles P-C4'-P energy: -93.723 tors. eta vs tors. theta energy: -218.459 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: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2662.300138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.300138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.300138 (E_RNA) where: Base-Base interactions energy: -1965.891 where: short stacking energy: -757.750 Base-Backbone interact. energy: 0.915 local terms energy: -697.324380 where: bonds (distance) C4'-P energy: -128.287 bonds (distance) P-C4' energy: -103.499 flat angles C4'-P-C4' energy: -149.233 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -224.775 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: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2558.333195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.333195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.333195 (E_RNA) where: Base-Base interactions energy: -1873.386 where: short stacking energy: -737.569 Base-Backbone interact. energy: 2.635 local terms energy: -687.581667 where: bonds (distance) C4'-P energy: -116.062 bonds (distance) P-C4' energy: -120.510 flat angles C4'-P-C4' energy: -146.005 flat angles P-C4'-P energy: -96.256 tors. eta vs tors. theta energy: -208.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2493.063713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.063713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.063713 (E_RNA) where: Base-Base interactions energy: -1802.197 where: short stacking energy: -705.699 Base-Backbone interact. energy: -0.455 local terms energy: -690.412006 where: bonds (distance) C4'-P energy: -123.239 bonds (distance) P-C4' energy: -116.154 flat angles C4'-P-C4' energy: -145.077 flat angles P-C4'-P energy: -94.816 tors. eta vs tors. theta energy: -211.125 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: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2390.241525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.241525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.241525 (E_RNA) where: Base-Base interactions energy: -1733.185 where: short stacking energy: -663.755 Base-Backbone interact. energy: 3.401 local terms energy: -660.457942 where: bonds (distance) C4'-P energy: -112.280 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -149.530 flat angles P-C4'-P energy: -86.381 tors. eta vs tors. theta energy: -194.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2360.047792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.047792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.047792 (E_RNA) where: Base-Base interactions energy: -1701.944 where: short stacking energy: -662.448 Base-Backbone interact. energy: -0.538 local terms energy: -657.566147 where: bonds (distance) C4'-P energy: -105.836 bonds (distance) P-C4' energy: -120.681 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -204.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2257.112857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.112857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.112857 (E_RNA) where: Base-Base interactions energy: -1630.726 where: short stacking energy: -645.536 Base-Backbone interact. energy: -1.155 local terms energy: -625.232477 where: bonds (distance) C4'-P energy: -109.337 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -131.383 flat angles P-C4'-P energy: -93.132 tors. eta vs tors. theta energy: -186.586 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: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -2204.344854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.344854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.344854 (E_RNA) where: Base-Base interactions energy: -1626.287 where: short stacking energy: -628.933 Base-Backbone interact. energy: -0.481 local terms energy: -577.576541 where: bonds (distance) C4'-P energy: -101.983 bonds (distance) P-C4' energy: -96.748 flat angles C4'-P-C4' energy: -126.433 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -179.132 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: 268 Temperature: 1.300000 Total energy: -1942.894313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.894313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.894313 (E_RNA) where: Base-Base interactions energy: -1381.823 where: short stacking energy: -539.398 Base-Backbone interact. energy: -1.886 local terms energy: -559.186121 where: bonds (distance) C4'-P energy: -102.457 bonds (distance) P-C4' energy: -113.432 flat angles C4'-P-C4' energy: -109.128 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: -153.702 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: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1701.036361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.036361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.036361 (E_RNA) where: Base-Base interactions energy: -1172.864 where: short stacking energy: -472.027 Base-Backbone interact. energy: -0.379 local terms energy: -527.792539 where: bonds (distance) C4'-P energy: -101.589 bonds (distance) P-C4' energy: -113.154 flat angles C4'-P-C4' energy: -117.212 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -114.947 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: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2675.573154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.573154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.573154 (E_RNA) where: Base-Base interactions energy: -1941.754 where: short stacking energy: -749.435 Base-Backbone interact. energy: -1.664 local terms energy: -732.155614 where: bonds (distance) C4'-P energy: -121.828 bonds (distance) P-C4' energy: -130.391 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -100.514 tors. eta vs tors. theta energy: -223.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2661.864047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.864047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.864047 (E_RNA) where: Base-Base interactions energy: -1939.457 where: short stacking energy: -745.602 Base-Backbone interact. energy: -0.346 local terms energy: -722.060867 where: bonds (distance) C4'-P energy: -120.500 bonds (distance) P-C4' energy: -121.701 flat angles C4'-P-C4' energy: -150.873 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -221.978 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: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2575.694651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.694651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.694651 (E_RNA) where: Base-Base interactions energy: -1905.245 where: short stacking energy: -740.693 Base-Backbone interact. energy: -0.554 local terms energy: -669.896081 where: bonds (distance) C4'-P energy: -111.692 bonds (distance) P-C4' energy: -108.917 flat angles C4'-P-C4' energy: -142.493 flat angles P-C4'-P energy: -87.030 tors. eta vs tors. theta energy: -219.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2488.780245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.780245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.780245 (E_RNA) where: Base-Base interactions energy: -1813.849 where: short stacking energy: -722.618 Base-Backbone interact. energy: -0.912 local terms energy: -674.019681 where: bonds (distance) C4'-P energy: -122.618 bonds (distance) P-C4' energy: -105.148 flat angles C4'-P-C4' energy: -145.400 flat angles P-C4'-P energy: -80.225 tors. eta vs tors. theta energy: -220.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2408.058677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.058677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.058677 (E_RNA) where: Base-Base interactions energy: -1743.319 where: short stacking energy: -675.276 Base-Backbone interact. energy: -1.996 local terms energy: -662.743735 where: bonds (distance) C4'-P energy: -118.506 bonds (distance) P-C4' energy: -121.809 flat angles C4'-P-C4' energy: -135.509 flat angles P-C4'-P energy: -89.143 tors. eta vs tors. theta energy: -197.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2373.179119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.179119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.179119 (E_RNA) where: Base-Base interactions energy: -1733.779 where: short stacking energy: -683.973 Base-Backbone interact. energy: 0.445 local terms energy: -639.845099 where: bonds (distance) C4'-P energy: -106.325 bonds (distance) P-C4' energy: -106.512 flat angles C4'-P-C4' energy: -130.092 flat angles P-C4'-P energy: -94.299 tors. eta vs tors. theta energy: -202.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2223.952679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.952679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.952679 (E_RNA) where: Base-Base interactions energy: -1630.622 where: short stacking energy: -622.204 Base-Backbone interact. energy: -0.545 local terms energy: -592.785615 where: bonds (distance) C4'-P energy: -90.041 bonds (distance) P-C4' energy: -107.758 flat angles C4'-P-C4' energy: -129.224 flat angles P-C4'-P energy: -82.675 tors. eta vs tors. theta energy: -183.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -2217.257695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.257695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.257695 (E_RNA) where: Base-Base interactions energy: -1601.863 where: short stacking energy: -616.587 Base-Backbone interact. energy: -2.144 local terms energy: -613.250240 where: bonds (distance) C4'-P energy: -105.829 bonds (distance) P-C4' energy: -108.140 flat angles C4'-P-C4' energy: -133.889 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -180.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1962.841018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.841018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.841018 (E_RNA) where: Base-Base interactions energy: -1405.534 where: short stacking energy: -555.575 Base-Backbone interact. energy: -1.411 local terms energy: -555.895656 where: bonds (distance) C4'-P energy: -107.950 bonds (distance) P-C4' energy: -84.518 flat angles C4'-P-C4' energy: -126.242 flat angles P-C4'-P energy: -75.909 tors. eta vs tors. theta energy: -161.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1785.919958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.919958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.919958 (E_RNA) where: Base-Base interactions energy: -1236.966 where: short stacking energy: -504.130 Base-Backbone interact. energy: -2.408 local terms energy: -546.545908 where: bonds (distance) C4'-P energy: -106.545 bonds (distance) P-C4' energy: -113.636 flat angles C4'-P-C4' energy: -110.506 flat angles P-C4'-P energy: -82.151 tors. eta vs tors. theta energy: -133.708 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: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2678.517271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.517271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.517271 (E_RNA) where: Base-Base interactions energy: -1946.758 where: short stacking energy: -747.143 Base-Backbone interact. energy: -0.027 local terms energy: -731.732438 where: bonds (distance) C4'-P energy: -124.356 bonds (distance) P-C4' energy: -128.693 flat angles C4'-P-C4' energy: -149.760 flat angles P-C4'-P energy: -114.471 tors. eta vs tors. theta energy: -214.453 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: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2659.227262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.227262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.227262 (E_RNA) where: Base-Base interactions energy: -1947.769 where: short stacking energy: -739.315 Base-Backbone interact. energy: -0.205 local terms energy: -711.253241 where: bonds (distance) C4'-P energy: -127.619 bonds (distance) P-C4' energy: -109.785 flat angles C4'-P-C4' energy: -147.148 flat angles P-C4'-P energy: -100.737 tors. eta vs tors. theta energy: -225.964 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: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2593.827052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.827052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.827052 (E_RNA) where: Base-Base interactions energy: -1892.576 where: short stacking energy: -727.696 Base-Backbone interact. energy: 0.529 local terms energy: -701.780158 where: bonds (distance) C4'-P energy: -115.438 bonds (distance) P-C4' energy: -122.156 flat angles C4'-P-C4' energy: -141.791 flat angles P-C4'-P energy: -103.187 tors. eta vs tors. theta energy: -219.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2487.661277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.661277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.661277 (E_RNA) where: Base-Base interactions energy: -1794.166 where: short stacking energy: -710.681 Base-Backbone interact. energy: -0.200 local terms energy: -693.295125 where: bonds (distance) C4'-P energy: -113.063 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -102.660 tors. eta vs tors. theta energy: -211.240 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: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2424.162932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.162932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.162932 (E_RNA) where: Base-Base interactions energy: -1751.478 where: short stacking energy: -687.586 Base-Backbone interact. energy: -1.078 local terms energy: -671.607040 where: bonds (distance) C4'-P energy: -123.732 bonds (distance) P-C4' energy: -122.333 flat angles C4'-P-C4' energy: -122.266 flat angles P-C4'-P energy: -92.123 tors. eta vs tors. theta energy: -211.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2388.886162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.886162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.886162 (E_RNA) where: Base-Base interactions energy: -1721.350 where: short stacking energy: -692.836 Base-Backbone interact. energy: -0.466 local terms energy: -667.069519 where: bonds (distance) C4'-P energy: -106.203 bonds (distance) P-C4' energy: -114.215 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -95.389 tors. eta vs tors. theta energy: -207.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2286.722689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.722689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.722689 (E_RNA) where: Base-Base interactions energy: -1687.646 where: short stacking energy: -638.527 Base-Backbone interact. energy: -0.345 local terms energy: -598.731406 where: bonds (distance) C4'-P energy: -103.484 bonds (distance) P-C4' energy: -105.015 flat angles C4'-P-C4' energy: -125.838 flat angles P-C4'-P energy: -80.438 tors. eta vs tors. theta energy: -183.955 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: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -2208.143523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.143523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.143523 (E_RNA) where: Base-Base interactions energy: -1606.519 where: short stacking energy: -623.264 Base-Backbone interact. energy: 2.184 local terms energy: -603.808381 where: bonds (distance) C4'-P energy: -100.613 bonds (distance) P-C4' energy: -97.948 flat angles C4'-P-C4' energy: -128.602 flat angles P-C4'-P energy: -91.135 tors. eta vs tors. theta energy: -185.510 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: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1906.023587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.023587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.023587 (E_RNA) where: Base-Base interactions energy: -1396.122 where: short stacking energy: -545.974 Base-Backbone interact. energy: -0.020 local terms energy: -509.881266 where: bonds (distance) C4'-P energy: -84.070 bonds (distance) P-C4' energy: -67.872 flat angles C4'-P-C4' energy: -109.710 flat angles P-C4'-P energy: -81.495 tors. eta vs tors. theta energy: -166.735 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: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1731.916711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.916711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.916711 (E_RNA) where: Base-Base interactions energy: -1231.436 where: short stacking energy: -489.482 Base-Backbone interact. energy: -1.729 local terms energy: -498.752222 where: bonds (distance) C4'-P energy: -96.397 bonds (distance) P-C4' energy: -96.653 flat angles C4'-P-C4' energy: -97.352 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -133.266 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: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2665.302903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.302903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.302903 (E_RNA) where: Base-Base interactions energy: -1941.028 where: short stacking energy: -743.596 Base-Backbone interact. energy: 0.002 local terms energy: -724.276976 where: bonds (distance) C4'-P energy: -126.125 bonds (distance) P-C4' energy: -123.697 flat angles C4'-P-C4' energy: -149.925 flat angles P-C4'-P energy: -101.005 tors. eta vs tors. theta energy: -223.525 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: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2670.988771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.988771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.988771 (E_RNA) where: Base-Base interactions energy: -1943.203 where: short stacking energy: -750.006 Base-Backbone interact. energy: -1.575 local terms energy: -726.210061 where: bonds (distance) C4'-P energy: -125.380 bonds (distance) P-C4' energy: -130.408 flat angles C4'-P-C4' energy: -146.435 flat angles P-C4'-P energy: -102.452 tors. eta vs tors. theta energy: -221.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2593.493766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.493766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.493766 (E_RNA) where: Base-Base interactions energy: -1886.769 where: short stacking energy: -732.418 Base-Backbone interact. energy: 0.106 local terms energy: -706.829971 where: bonds (distance) C4'-P energy: -119.345 bonds (distance) P-C4' energy: -126.331 flat angles C4'-P-C4' energy: -146.725 flat angles P-C4'-P energy: -98.752 tors. eta vs tors. theta energy: -215.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2455.024512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.024512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.024512 (E_RNA) where: Base-Base interactions energy: -1788.346 where: short stacking energy: -704.365 Base-Backbone interact. energy: -1.545 local terms energy: -665.133364 where: bonds (distance) C4'-P energy: -107.370 bonds (distance) P-C4' energy: -96.973 flat angles C4'-P-C4' energy: -145.406 flat angles P-C4'-P energy: -106.592 tors. eta vs tors. theta energy: -208.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2457.172057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.172057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.172057 (E_RNA) where: Base-Base interactions energy: -1792.039 where: short stacking energy: -696.927 Base-Backbone interact. energy: -0.375 local terms energy: -664.758439 where: bonds (distance) C4'-P energy: -95.147 bonds (distance) P-C4' energy: -109.483 flat angles C4'-P-C4' energy: -141.405 flat angles P-C4'-P energy: -109.893 tors. eta vs tors. theta energy: -208.831 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: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2370.596037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.596037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.596037 (E_RNA) where: Base-Base interactions energy: -1720.384 where: short stacking energy: -672.691 Base-Backbone interact. energy: -0.591 local terms energy: -649.620815 where: bonds (distance) C4'-P energy: -107.912 bonds (distance) P-C4' energy: -113.806 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -93.192 tors. eta vs tors. theta energy: -201.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2300.851132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.851132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.851132 (E_RNA) where: Base-Base interactions energy: -1686.782 where: short stacking energy: -636.763 Base-Backbone interact. energy: -0.743 local terms energy: -613.326265 where: bonds (distance) C4'-P energy: -97.615 bonds (distance) P-C4' energy: -97.560 flat angles C4'-P-C4' energy: -132.058 flat angles P-C4'-P energy: -93.635 tors. eta vs tors. theta energy: -192.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -2227.606004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.606004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.606004 (E_RNA) where: Base-Base interactions energy: -1621.952 where: short stacking energy: -636.749 Base-Backbone interact. energy: 0.350 local terms energy: -606.003264 where: bonds (distance) C4'-P energy: -84.408 bonds (distance) P-C4' energy: -105.965 flat angles C4'-P-C4' energy: -127.161 flat angles P-C4'-P energy: -100.530 tors. eta vs tors. theta energy: -187.940 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: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1966.036012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.036012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.036012 (E_RNA) where: Base-Base interactions energy: -1406.255 where: short stacking energy: -546.483 Base-Backbone interact. energy: 1.288 local terms energy: -561.069262 where: bonds (distance) C4'-P energy: -90.526 bonds (distance) P-C4' energy: -116.501 flat angles C4'-P-C4' energy: -128.982 flat angles P-C4'-P energy: -75.788 tors. eta vs tors. theta energy: -149.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1710.441132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.441132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.441132 (E_RNA) where: Base-Base interactions energy: -1227.610 where: short stacking energy: -498.852 Base-Backbone interact. energy: 0.420 local terms energy: -483.251003 where: bonds (distance) C4'-P energy: -94.601 bonds (distance) P-C4' energy: -92.510 flat angles C4'-P-C4' energy: -94.508 flat angles P-C4'-P energy: -61.259 tors. eta vs tors. theta energy: -140.373 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: 1, replica: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2697.684281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.684281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.684281 (E_RNA) where: Base-Base interactions energy: -1964.625 where: short stacking energy: -755.222 Base-Backbone interact. energy: 0.239 local terms energy: -733.298170 where: bonds (distance) C4'-P energy: -131.365 bonds (distance) P-C4' energy: -121.263 flat angles C4'-P-C4' energy: -152.155 flat angles P-C4'-P energy: -109.138 tors. eta vs tors. theta energy: -219.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2615.393169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.393169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.393169 (E_RNA) where: Base-Base interactions energy: -1898.123 where: short stacking energy: -736.221 Base-Backbone interact. energy: -0.751 local terms energy: -716.519324 where: bonds (distance) C4'-P energy: -129.893 bonds (distance) P-C4' energy: -119.466 flat angles C4'-P-C4' energy: -148.223 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -218.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2584.386620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.386620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.386620 (E_RNA) where: Base-Base interactions energy: -1886.624 where: short stacking energy: -727.588 Base-Backbone interact. energy: -2.562 local terms energy: -695.200708 where: bonds (distance) C4'-P energy: -121.007 bonds (distance) P-C4' energy: -115.412 flat angles C4'-P-C4' energy: -153.207 flat angles P-C4'-P energy: -88.157 tors. eta vs tors. theta energy: -217.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2498.535792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.535792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.535792 (E_RNA) where: Base-Base interactions energy: -1794.221 where: short stacking energy: -699.263 Base-Backbone interact. energy: -2.555 local terms energy: -701.760280 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -118.391 flat angles C4'-P-C4' energy: -146.134 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -211.012 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: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2413.818380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.818380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.818380 (E_RNA) where: Base-Base interactions energy: -1764.080 where: short stacking energy: -683.256 Base-Backbone interact. energy: -0.703 local terms energy: -649.035625 where: bonds (distance) C4'-P energy: -103.492 bonds (distance) P-C4' energy: -123.659 flat angles C4'-P-C4' energy: -131.876 flat angles P-C4'-P energy: -88.452 tors. eta vs tors. theta energy: -201.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2330.974201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.974201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.974201 (E_RNA) where: Base-Base interactions energy: -1702.912 where: short stacking energy: -671.293 Base-Backbone interact. energy: 1.661 local terms energy: -629.722687 where: bonds (distance) C4'-P energy: -99.807 bonds (distance) P-C4' energy: -119.033 flat angles C4'-P-C4' energy: -134.327 flat angles P-C4'-P energy: -78.283 tors. eta vs tors. theta energy: -198.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2306.273577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.273577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.273577 (E_RNA) where: Base-Base interactions energy: -1702.704 where: short stacking energy: -666.213 Base-Backbone interact. energy: -0.761 local terms energy: -602.808213 where: bonds (distance) C4'-P energy: -95.176 bonds (distance) P-C4' energy: -104.196 flat angles C4'-P-C4' energy: -120.557 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -192.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -2169.231464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.231464 (E_RNA) where: Base-Base interactions energy: -1566.353 where: short stacking energy: -622.806 Base-Backbone interact. energy: 0.918 local terms energy: -603.797122 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -121.942 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -83.181 tors. eta vs tors. theta energy: -179.732 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: 9, replica: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1894.417568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.417568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.417568 (E_RNA) where: Base-Base interactions energy: -1387.406 where: short stacking energy: -543.625 Base-Backbone interact. energy: 0.141 local terms energy: -507.152135 where: bonds (distance) C4'-P energy: -85.877 bonds (distance) P-C4' energy: -84.802 flat angles C4'-P-C4' energy: -128.417 flat angles P-C4'-P energy: -63.655 tors. eta vs tors. theta energy: -144.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1758.176045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.176045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.176045 (E_RNA) where: Base-Base interactions energy: -1253.201 where: short stacking energy: -501.947 Base-Backbone interact. energy: -1.111 local terms energy: -503.864145 where: bonds (distance) C4'-P energy: -89.489 bonds (distance) P-C4' energy: -90.290 flat angles C4'-P-C4' energy: -114.858 flat angles P-C4'-P energy: -71.812 tors. eta vs tors. theta energy: -137.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2699.483480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.483480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.483480 (E_RNA) where: Base-Base interactions energy: -1966.405 where: short stacking energy: -751.239 Base-Backbone interact. energy: -0.917 local terms energy: -732.162173 where: bonds (distance) C4'-P energy: -129.813 bonds (distance) P-C4' energy: -123.798 flat angles C4'-P-C4' energy: -147.368 flat angles P-C4'-P energy: -104.417 tors. eta vs tors. theta energy: -226.767 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: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2627.102732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.102732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.102732 (E_RNA) where: Base-Base interactions energy: -1911.054 where: short stacking energy: -732.056 Base-Backbone interact. energy: -0.777 local terms energy: -715.271733 where: bonds (distance) C4'-P energy: -113.705 bonds (distance) P-C4' energy: -124.666 flat angles C4'-P-C4' energy: -149.275 flat angles P-C4'-P energy: -109.934 tors. eta vs tors. theta energy: -217.691 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: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2579.626640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.626640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.626640 (E_RNA) where: Base-Base interactions energy: -1867.750 where: short stacking energy: -722.036 Base-Backbone interact. energy: -2.819 local terms energy: -709.057532 where: bonds (distance) C4'-P energy: -129.866 bonds (distance) P-C4' energy: -112.194 flat angles C4'-P-C4' energy: -149.238 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -219.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2476.383948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.383948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.383948 (E_RNA) where: Base-Base interactions energy: -1807.712 where: short stacking energy: -713.924 Base-Backbone interact. energy: -2.797 local terms energy: -665.875601 where: bonds (distance) C4'-P energy: -102.471 bonds (distance) P-C4' energy: -113.190 flat angles C4'-P-C4' energy: -146.837 flat angles P-C4'-P energy: -94.772 tors. eta vs tors. theta energy: -208.606 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: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2417.766879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.766879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.766879 (E_RNA) where: Base-Base interactions energy: -1763.530 where: short stacking energy: -692.933 Base-Backbone interact. energy: 0.821 local terms energy: -655.057734 where: bonds (distance) C4'-P energy: -107.116 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -134.244 flat angles P-C4'-P energy: -93.806 tors. eta vs tors. theta energy: -208.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2357.849662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.849662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.849662 (E_RNA) where: Base-Base interactions energy: -1703.301 where: short stacking energy: -649.669 Base-Backbone interact. energy: -1.764 local terms energy: -652.785057 where: bonds (distance) C4'-P energy: -117.535 bonds (distance) P-C4' energy: -112.443 flat angles C4'-P-C4' energy: -146.169 flat angles P-C4'-P energy: -76.076 tors. eta vs tors. theta energy: -200.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2295.331065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.331065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.331065 (E_RNA) where: Base-Base interactions energy: -1686.120 where: short stacking energy: -651.830 Base-Backbone interact. energy: 0.834 local terms energy: -610.044539 where: bonds (distance) C4'-P energy: -105.959 bonds (distance) P-C4' energy: -99.645 flat angles C4'-P-C4' energy: -125.746 flat angles P-C4'-P energy: -82.549 tors. eta vs tors. theta energy: -196.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -2216.117209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.117209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.117209 (E_RNA) where: Base-Base interactions energy: -1615.952 where: short stacking energy: -616.277 Base-Backbone interact. energy: -0.466 local terms energy: -599.699603 where: bonds (distance) C4'-P energy: -117.393 bonds (distance) P-C4' energy: -104.277 flat angles C4'-P-C4' energy: -119.065 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -184.705 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: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1841.517741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.517741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.517741 (E_RNA) where: Base-Base interactions energy: -1305.037 where: short stacking energy: -514.565 Base-Backbone interact. energy: -1.137 local terms energy: -535.344185 where: bonds (distance) C4'-P energy: -94.897 bonds (distance) P-C4' energy: -101.538 flat angles C4'-P-C4' energy: -108.557 flat angles P-C4'-P energy: -85.540 tors. eta vs tors. theta energy: -144.812 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: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1777.239886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.239886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.239886 (E_RNA) where: Base-Base interactions energy: -1286.060 where: short stacking energy: -516.257 Base-Backbone interact. energy: -1.310 local terms energy: -489.869676 where: bonds (distance) C4'-P energy: -92.049 bonds (distance) P-C4' energy: -86.491 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -71.994 tors. eta vs tors. theta energy: -126.530 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: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2682.289388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.289388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.289388 (E_RNA) where: Base-Base interactions energy: -1954.199 where: short stacking energy: -762.546 Base-Backbone interact. energy: -1.265 local terms energy: -726.825388 where: bonds (distance) C4'-P energy: -127.199 bonds (distance) P-C4' energy: -130.948 flat angles C4'-P-C4' energy: -142.248 flat angles P-C4'-P energy: -107.232 tors. eta vs tors. theta energy: -219.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2595.148879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.148879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.148879 (E_RNA) where: Base-Base interactions energy: -1901.515 where: short stacking energy: -722.303 Base-Backbone interact. energy: -1.050 local terms energy: -692.584148 where: bonds (distance) C4'-P energy: -109.716 bonds (distance) P-C4' energy: -123.919 flat angles C4'-P-C4' energy: -140.454 flat angles P-C4'-P energy: -105.211 tors. eta vs tors. theta energy: -213.285 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: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2585.070281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.070281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.070281 (E_RNA) where: Base-Base interactions energy: -1875.221 where: short stacking energy: -714.657 Base-Backbone interact. energy: -0.736 local terms energy: -709.114005 where: bonds (distance) C4'-P energy: -118.788 bonds (distance) P-C4' energy: -129.897 flat angles C4'-P-C4' energy: -145.133 flat angles P-C4'-P energy: -99.191 tors. eta vs tors. theta energy: -216.105 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: 274 Temperature: 1.050000 Total energy: -2462.378701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.378701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.378701 (E_RNA) where: Base-Base interactions energy: -1765.880 where: short stacking energy: -690.212 Base-Backbone interact. energy: -2.310 local terms energy: -694.188893 where: bonds (distance) C4'-P energy: -108.941 bonds (distance) P-C4' energy: -117.318 flat angles C4'-P-C4' energy: -150.452 flat angles P-C4'-P energy: -104.811 tors. eta vs tors. theta energy: -212.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2436.052585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.052585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.052585 (E_RNA) where: Base-Base interactions energy: -1784.401 where: short stacking energy: -687.485 Base-Backbone interact. energy: -0.380 local terms energy: -651.270916 where: bonds (distance) C4'-P energy: -123.820 bonds (distance) P-C4' energy: -110.191 flat angles C4'-P-C4' energy: -130.347 flat angles P-C4'-P energy: -81.935 tors. eta vs tors. theta energy: -204.978 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: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2330.594561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.594561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.594561 (E_RNA) where: Base-Base interactions energy: -1688.406 where: short stacking energy: -682.375 Base-Backbone interact. energy: -0.464 local terms energy: -641.723891 where: bonds (distance) C4'-P energy: -109.477 bonds (distance) P-C4' energy: -97.724 flat angles C4'-P-C4' energy: -139.380 flat angles P-C4'-P energy: -89.204 tors. eta vs tors. theta energy: -205.939 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: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2330.922023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.922023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.922023 (E_RNA) where: Base-Base interactions energy: -1714.018 where: short stacking energy: -663.200 Base-Backbone interact. energy: 1.351 local terms energy: -618.255027 where: bonds (distance) C4'-P energy: -84.102 bonds (distance) P-C4' energy: -125.934 flat angles C4'-P-C4' energy: -128.567 flat angles P-C4'-P energy: -77.797 tors. eta vs tors. theta energy: -201.854 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: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2252.708739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.708739 (E_RNA) where: Base-Base interactions energy: -1642.734 where: short stacking energy: -632.997 Base-Backbone interact. energy: -0.634 local terms energy: -609.340073 where: bonds (distance) C4'-P energy: -88.972 bonds (distance) P-C4' energy: -103.221 flat angles C4'-P-C4' energy: -123.243 flat angles P-C4'-P energy: -92.828 tors. eta vs tors. theta energy: -201.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1967.368158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.368158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.368158 (E_RNA) where: Base-Base interactions energy: -1404.192 where: short stacking energy: -539.462 Base-Backbone interact. energy: -1.876 local terms energy: -561.300054 where: bonds (distance) C4'-P energy: -112.517 bonds (distance) P-C4' energy: -101.796 flat angles C4'-P-C4' energy: -130.955 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: -153.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1766.918972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.918972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.918972 (E_RNA) where: Base-Base interactions energy: -1250.856 where: short stacking energy: -511.355 Base-Backbone interact. energy: -0.423 local terms energy: -515.639837 where: bonds (distance) C4'-P energy: -107.265 bonds (distance) P-C4' energy: -84.089 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: -139.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2710.724948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.724948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.724948 (E_RNA) where: Base-Base interactions energy: -1978.890 where: short stacking energy: -755.225 Base-Backbone interact. energy: -1.927 local terms energy: -729.907884 where: bonds (distance) C4'-P energy: -137.591 bonds (distance) P-C4' energy: -124.896 flat angles C4'-P-C4' energy: -142.282 flat angles P-C4'-P energy: -105.411 tors. eta vs tors. theta energy: -219.727 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: 275 Temperature: 0.950000 Total energy: -2609.590049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.590049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.590049 (E_RNA) where: Base-Base interactions energy: -1891.519 where: short stacking energy: -743.917 Base-Backbone interact. energy: -1.162 local terms energy: -716.908397 where: bonds (distance) C4'-P energy: -125.727 bonds (distance) P-C4' energy: -119.555 flat angles C4'-P-C4' energy: -143.111 flat angles P-C4'-P energy: -111.234 tors. eta vs tors. theta energy: -217.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2575.946517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.946517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.946517 (E_RNA) where: Base-Base interactions energy: -1899.027 where: short stacking energy: -758.020 Base-Backbone interact. energy: -0.771 local terms energy: -676.148421 where: bonds (distance) C4'-P energy: -117.001 bonds (distance) P-C4' energy: -108.277 flat angles C4'-P-C4' energy: -139.255 flat angles P-C4'-P energy: -90.550 tors. eta vs tors. theta energy: -221.066 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: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2457.155065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.155065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.155065 (E_RNA) where: Base-Base interactions energy: -1778.838 where: short stacking energy: -689.699 Base-Backbone interact. energy: -0.944 local terms energy: -677.372590 where: bonds (distance) C4'-P energy: -123.291 bonds (distance) P-C4' energy: -109.319 flat angles C4'-P-C4' energy: -138.680 flat angles P-C4'-P energy: -101.895 tors. eta vs tors. theta energy: -204.188 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: 275 Temperature: 1.100000 Total energy: -2449.740437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.740437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.740437 (E_RNA) where: Base-Base interactions energy: -1764.812 where: short stacking energy: -688.008 Base-Backbone interact. energy: 2.880 local terms energy: -687.808344 where: bonds (distance) C4'-P energy: -118.323 bonds (distance) P-C4' energy: -111.201 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -213.541 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: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2350.913000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.913000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.913000 (E_RNA) where: Base-Base interactions energy: -1718.891 where: short stacking energy: -660.932 Base-Backbone interact. energy: 0.185 local terms energy: -632.206926 where: bonds (distance) C4'-P energy: -96.406 bonds (distance) P-C4' energy: -108.926 flat angles C4'-P-C4' energy: -132.911 flat angles P-C4'-P energy: -103.528 tors. eta vs tors. theta energy: -190.435 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: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2271.566559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.566559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.566559 (E_RNA) where: Base-Base interactions energy: -1657.788 where: short stacking energy: -649.621 Base-Backbone interact. energy: 0.331 local terms energy: -614.109545 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -105.935 flat angles C4'-P-C4' energy: -129.871 flat angles P-C4'-P energy: -76.296 tors. eta vs tors. theta energy: -186.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -2213.437515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.437515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.437515 (E_RNA) where: Base-Base interactions energy: -1604.121 where: short stacking energy: -619.073 Base-Backbone interact. energy: 2.752 local terms energy: -612.069240 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -135.168 flat angles P-C4'-P energy: -82.390 tors. eta vs tors. theta energy: -189.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1882.671629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.671629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.671629 (E_RNA) where: Base-Base interactions energy: -1330.811 where: short stacking energy: -498.571 Base-Backbone interact. energy: -0.929 local terms energy: -550.931422 where: bonds (distance) C4'-P energy: -97.728 bonds (distance) P-C4' energy: -109.528 flat angles C4'-P-C4' energy: -125.575 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -139.380 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: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1757.506168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.506168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.506168 (E_RNA) where: Base-Base interactions energy: -1242.659 where: short stacking energy: -493.958 Base-Backbone interact. energy: 0.127 local terms energy: -514.974747 where: bonds (distance) C4'-P energy: -104.414 bonds (distance) P-C4' energy: -101.898 flat angles C4'-P-C4' energy: -116.153 flat angles P-C4'-P energy: -71.256 tors. eta vs tors. theta energy: -121.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2709.205247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.205247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.205247 (E_RNA) where: Base-Base interactions energy: -1965.765 where: short stacking energy: -772.305 Base-Backbone interact. energy: -1.674 local terms energy: -741.766198 where: bonds (distance) C4'-P energy: -130.181 bonds (distance) P-C4' energy: -125.259 flat angles C4'-P-C4' energy: -150.239 flat angles P-C4'-P energy: -114.226 tors. eta vs tors. theta energy: -221.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2615.037848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.037848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.037848 (E_RNA) where: Base-Base interactions energy: -1917.138 where: short stacking energy: -746.099 Base-Backbone interact. energy: -1.946 local terms energy: -695.953345 where: bonds (distance) C4'-P energy: -119.755 bonds (distance) P-C4' energy: -121.154 flat angles C4'-P-C4' energy: -134.380 flat angles P-C4'-P energy: -105.745 tors. eta vs tors. theta energy: -214.919 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: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2574.576037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.576037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.576037 (E_RNA) where: Base-Base interactions energy: -1871.375 where: short stacking energy: -731.770 Base-Backbone interact. energy: 2.192 local terms energy: -705.392906 where: bonds (distance) C4'-P energy: -120.962 bonds (distance) P-C4' energy: -117.222 flat angles C4'-P-C4' energy: -146.145 flat angles P-C4'-P energy: -102.955 tors. eta vs tors. theta energy: -218.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2431.483451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.483451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.483451 (E_RNA) where: Base-Base interactions energy: -1768.278 where: short stacking energy: -701.166 Base-Backbone interact. energy: 0.495 local terms energy: -663.700326 where: bonds (distance) C4'-P energy: -114.456 bonds (distance) P-C4' energy: -99.993 flat angles C4'-P-C4' energy: -143.463 flat angles P-C4'-P energy: -99.028 tors. eta vs tors. theta energy: -206.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2481.761781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.761781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.761781 (E_RNA) where: Base-Base interactions energy: -1824.691 where: short stacking energy: -713.584 Base-Backbone interact. energy: -1.489 local terms energy: -655.582214 where: bonds (distance) C4'-P energy: -100.932 bonds (distance) P-C4' energy: -109.088 flat angles C4'-P-C4' energy: -133.118 flat angles P-C4'-P energy: -96.372 tors. eta vs tors. theta energy: -216.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2321.720565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.720565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.720565 (E_RNA) where: Base-Base interactions energy: -1713.603 where: short stacking energy: -652.932 Base-Backbone interact. energy: 0.830 local terms energy: -608.947656 where: bonds (distance) C4'-P energy: -96.534 bonds (distance) P-C4' energy: -110.423 flat angles C4'-P-C4' energy: -130.551 flat angles P-C4'-P energy: -88.155 tors. eta vs tors. theta energy: -183.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2302.855695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.855695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.855695 (E_RNA) where: Base-Base interactions energy: -1692.048 where: short stacking energy: -657.878 Base-Backbone interact. energy: 0.050 local terms energy: -610.857732 where: bonds (distance) C4'-P energy: -109.009 bonds (distance) P-C4' energy: -101.238 flat angles C4'-P-C4' energy: -131.933 flat angles P-C4'-P energy: -70.143 tors. eta vs tors. theta energy: -198.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -2174.366306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.366306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.366306 (E_RNA) where: Base-Base interactions energy: -1584.236 where: short stacking energy: -611.893 Base-Backbone interact. energy: 0.374 local terms energy: -590.505209 where: bonds (distance) C4'-P energy: -110.843 bonds (distance) P-C4' energy: -85.913 flat angles C4'-P-C4' energy: -127.664 flat angles P-C4'-P energy: -76.338 tors. eta vs tors. theta energy: -189.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1876.366537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.366537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.366537 (E_RNA) where: Base-Base interactions energy: -1310.764 where: short stacking energy: -500.217 Base-Backbone interact. energy: 0.164 local terms energy: -565.766485 where: bonds (distance) C4'-P energy: -113.119 bonds (distance) P-C4' energy: -122.771 flat angles C4'-P-C4' energy: -110.243 flat angles P-C4'-P energy: -83.054 tors. eta vs tors. theta energy: -136.579 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: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1717.532561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.532561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.532561 (E_RNA) where: Base-Base interactions energy: -1219.343 where: short stacking energy: -490.819 Base-Backbone interact. energy: 1.465 local terms energy: -499.654052 where: bonds (distance) C4'-P energy: -85.795 bonds (distance) P-C4' energy: -95.356 flat angles C4'-P-C4' energy: -112.839 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -140.491 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: 277 Temperature: 0.900000 Total energy: -2691.005479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.005479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.005479 (E_RNA) where: Base-Base interactions energy: -1981.133 where: short stacking energy: -766.925 Base-Backbone interact. energy: 1.989 local terms energy: -711.861643 where: bonds (distance) C4'-P energy: -117.307 bonds (distance) P-C4' energy: -129.158 flat angles C4'-P-C4' energy: -140.753 flat angles P-C4'-P energy: -96.545 tors. eta vs tors. theta energy: -228.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2614.512627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.512627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.512627 (E_RNA) where: Base-Base interactions energy: -1903.914 where: short stacking energy: -736.788 Base-Backbone interact. energy: 0.622 local terms energy: -711.219906 where: bonds (distance) C4'-P energy: -120.062 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -151.771 flat angles P-C4'-P energy: -105.211 tors. eta vs tors. theta energy: -210.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2590.497056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.497056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.497056 (E_RNA) where: Base-Base interactions energy: -1899.791 where: short stacking energy: -738.521 Base-Backbone interact. energy: -0.638 local terms energy: -690.068340 where: bonds (distance) C4'-P energy: -108.570 bonds (distance) P-C4' energy: -118.366 flat angles C4'-P-C4' energy: -150.840 flat angles P-C4'-P energy: -96.274 tors. eta vs tors. theta energy: -216.018 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: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2499.219057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.219057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.219057 (E_RNA) where: Base-Base interactions energy: -1804.119 where: short stacking energy: -706.696 Base-Backbone interact. energy: -0.853 local terms energy: -694.247314 where: bonds (distance) C4'-P energy: -126.143 bonds (distance) P-C4' energy: -112.430 flat angles C4'-P-C4' energy: -137.831 flat angles P-C4'-P energy: -106.422 tors. eta vs tors. theta energy: -211.421 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: 277 Temperature: 1.100000 Total energy: -2372.382344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.382344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.382344 (E_RNA) where: Base-Base interactions energy: -1747.171 where: short stacking energy: -695.176 Base-Backbone interact. energy: 1.267 local terms energy: -626.478248 where: bonds (distance) C4'-P energy: -106.651 bonds (distance) P-C4' energy: -103.791 flat angles C4'-P-C4' energy: -136.741 flat angles P-C4'-P energy: -79.339 tors. eta vs tors. theta energy: -199.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2332.188392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.188392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.188392 (E_RNA) where: Base-Base interactions energy: -1699.269 where: short stacking energy: -645.823 Base-Backbone interact. energy: 1.696 local terms energy: -634.616059 where: bonds (distance) C4'-P energy: -106.689 bonds (distance) P-C4' energy: -114.783 flat angles C4'-P-C4' energy: -136.256 flat angles P-C4'-P energy: -93.988 tors. eta vs tors. theta energy: -182.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2338.439054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.439054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.439054 (E_RNA) where: Base-Base interactions energy: -1692.348 where: short stacking energy: -648.188 Base-Backbone interact. energy: -0.354 local terms energy: -645.736822 where: bonds (distance) C4'-P energy: -122.048 bonds (distance) P-C4' energy: -109.718 flat angles C4'-P-C4' energy: -133.446 flat angles P-C4'-P energy: -91.367 tors. eta vs tors. theta energy: -189.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -2169.069025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.069025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.069025 (E_RNA) where: Base-Base interactions energy: -1579.138 where: short stacking energy: -634.178 Base-Backbone interact. energy: -1.028 local terms energy: -588.902811 where: bonds (distance) C4'-P energy: -91.249 bonds (distance) P-C4' energy: -106.251 flat angles C4'-P-C4' energy: -118.193 flat angles P-C4'-P energy: -84.296 tors. eta vs tors. theta energy: -188.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -2010.669605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.669605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.669605 (E_RNA) where: Base-Base interactions energy: -1483.046 where: short stacking energy: -562.252 Base-Backbone interact. energy: -0.218 local terms energy: -527.405315 where: bonds (distance) C4'-P energy: -90.527 bonds (distance) P-C4' energy: -92.101 flat angles C4'-P-C4' energy: -114.184 flat angles P-C4'-P energy: -63.423 tors. eta vs tors. theta energy: -167.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1705.018180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.018180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.018180 (E_RNA) where: Base-Base interactions energy: -1200.824 where: short stacking energy: -457.707 Base-Backbone interact. energy: -2.404 local terms energy: -501.789615 where: bonds (distance) C4'-P energy: -90.329 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -127.230 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -114.682 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: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2691.359723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.359723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.359723 (E_RNA) where: Base-Base interactions energy: -1981.819 where: short stacking energy: -757.063 Base-Backbone interact. energy: 0.418 local terms energy: -709.958164 where: bonds (distance) C4'-P energy: -129.716 bonds (distance) P-C4' energy: -110.330 flat angles C4'-P-C4' energy: -140.123 flat angles P-C4'-P energy: -112.458 tors. eta vs tors. theta energy: -217.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2626.824583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.824583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.824583 (E_RNA) where: Base-Base interactions energy: -1934.618 where: short stacking energy: -746.312 Base-Backbone interact. energy: -0.345 local terms energy: -691.861398 where: bonds (distance) C4'-P energy: -124.815 bonds (distance) P-C4' energy: -118.315 flat angles C4'-P-C4' energy: -140.146 flat angles P-C4'-P energy: -95.623 tors. eta vs tors. theta energy: -212.964 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2570.704155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.704155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.704155 (E_RNA) where: Base-Base interactions energy: -1894.766 where: short stacking energy: -721.655 Base-Backbone interact. energy: 1.542 local terms energy: -677.480311 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -102.061 flat angles C4'-P-C4' energy: -146.086 flat angles P-C4'-P energy: -102.368 tors. eta vs tors. theta energy: -216.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2477.658868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.658868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.658868 (E_RNA) where: Base-Base interactions energy: -1796.929 where: short stacking energy: -713.185 Base-Backbone interact. energy: -2.112 local terms energy: -678.617553 where: bonds (distance) C4'-P energy: -99.974 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -147.176 flat angles P-C4'-P energy: -103.163 tors. eta vs tors. theta energy: -217.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2403.017019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.017019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.017019 (E_RNA) where: Base-Base interactions energy: -1754.378 where: short stacking energy: -676.505 Base-Backbone interact. energy: -2.179 local terms energy: -646.460142 where: bonds (distance) C4'-P energy: -114.709 bonds (distance) P-C4' energy: -104.849 flat angles C4'-P-C4' energy: -138.997 flat angles P-C4'-P energy: -82.692 tors. eta vs tors. theta energy: -205.213 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: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2397.428350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.428350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.428350 (E_RNA) where: Base-Base interactions energy: -1735.806 where: short stacking energy: -679.177 Base-Backbone interact. energy: -1.343 local terms energy: -660.280263 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -109.566 flat angles C4'-P-C4' energy: -143.292 flat angles P-C4'-P energy: -98.866 tors. eta vs tors. theta energy: -193.233 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: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2263.042030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.042030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.042030 (E_RNA) where: Base-Base interactions energy: -1630.529 where: short stacking energy: -637.084 Base-Backbone interact. energy: -1.276 local terms energy: -631.237578 where: bonds (distance) C4'-P energy: -105.085 bonds (distance) P-C4' energy: -120.364 flat angles C4'-P-C4' energy: -133.555 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: -191.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -2238.496303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.496303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.496303 (E_RNA) where: Base-Base interactions energy: -1615.879 where: short stacking energy: -613.890 Base-Backbone interact. energy: 1.865 local terms energy: -624.482334 where: bonds (distance) C4'-P energy: -99.811 bonds (distance) P-C4' energy: -113.684 flat angles C4'-P-C4' energy: -127.014 flat angles P-C4'-P energy: -92.177 tors. eta vs tors. theta energy: -191.796 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: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1944.579302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.579302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.579302 (E_RNA) where: Base-Base interactions energy: -1412.502 where: short stacking energy: -520.658 Base-Backbone interact. energy: -1.100 local terms energy: -530.977584 where: bonds (distance) C4'-P energy: -88.877 bonds (distance) P-C4' energy: -112.507 flat angles C4'-P-C4' energy: -122.401 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -143.075 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: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1695.328572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.328572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.328572 (E_RNA) where: Base-Base interactions energy: -1188.914 where: short stacking energy: -477.666 Base-Backbone interact. energy: 1.346 local terms energy: -507.760866 where: bonds (distance) C4'-P energy: -101.741 bonds (distance) P-C4' energy: -101.268 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: -134.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2704.598571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.598571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.598571 (E_RNA) where: Base-Base interactions energy: -1973.571 where: short stacking energy: -767.632 Base-Backbone interact. energy: 0.115 local terms energy: -731.142224 where: bonds (distance) C4'-P energy: -127.703 bonds (distance) P-C4' energy: -119.270 flat angles C4'-P-C4' energy: -154.210 flat angles P-C4'-P energy: -115.972 tors. eta vs tors. theta energy: -213.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2617.096304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.096304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.096304 (E_RNA) where: Base-Base interactions energy: -1901.712 where: short stacking energy: -726.636 Base-Backbone interact. energy: -2.512 local terms energy: -712.872501 where: bonds (distance) C4'-P energy: -118.332 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -146.013 flat angles P-C4'-P energy: -97.731 tors. eta vs tors. theta energy: -209.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2576.419988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.419988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.419988 (E_RNA) where: Base-Base interactions energy: -1887.960 where: short stacking energy: -731.173 Base-Backbone interact. energy: -1.613 local terms energy: -686.846322 where: bonds (distance) C4'-P energy: -123.114 bonds (distance) P-C4' energy: -117.898 flat angles C4'-P-C4' energy: -139.317 flat angles P-C4'-P energy: -93.341 tors. eta vs tors. theta energy: -213.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2500.892532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.892532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.892532 (E_RNA) where: Base-Base interactions energy: -1791.122 where: short stacking energy: -696.502 Base-Backbone interact. energy: -0.973 local terms energy: -708.796993 where: bonds (distance) C4'-P energy: -125.898 bonds (distance) P-C4' energy: -117.559 flat angles C4'-P-C4' energy: -145.205 flat angles P-C4'-P energy: -103.245 tors. eta vs tors. theta energy: -216.889 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: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2403.199325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.199325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.199325 (E_RNA) where: Base-Base interactions energy: -1732.460 where: short stacking energy: -680.348 Base-Backbone interact. energy: 0.206 local terms energy: -670.945802 where: bonds (distance) C4'-P energy: -105.981 bonds (distance) P-C4' energy: -116.904 flat angles C4'-P-C4' energy: -137.814 flat angles P-C4'-P energy: -105.927 tors. eta vs tors. theta energy: -204.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2369.003863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.003863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.003863 (E_RNA) where: Base-Base interactions energy: -1748.004 where: short stacking energy: -679.121 Base-Backbone interact. energy: -0.448 local terms energy: -620.551295 where: bonds (distance) C4'-P energy: -117.393 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -128.341 flat angles P-C4'-P energy: -83.067 tors. eta vs tors. theta energy: -194.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2269.661078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.661078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.661078 (E_RNA) where: Base-Base interactions energy: -1648.752 where: short stacking energy: -642.378 Base-Backbone interact. energy: -0.757 local terms energy: -620.152419 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -128.960 flat angles P-C4'-P energy: -68.920 tors. eta vs tors. theta energy: -191.817 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: 279 Temperature: 1.250000 Total energy: -2226.477500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.477500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.477500 (E_RNA) where: Base-Base interactions energy: -1637.239 where: short stacking energy: -634.055 Base-Backbone interact. energy: 1.054 local terms energy: -590.292626 where: bonds (distance) C4'-P energy: -111.483 bonds (distance) P-C4' energy: -81.884 flat angles C4'-P-C4' energy: -129.705 flat angles P-C4'-P energy: -73.486 tors. eta vs tors. theta energy: -193.735 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: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1923.769185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.769185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.769185 (E_RNA) where: Base-Base interactions energy: -1391.451 where: short stacking energy: -569.183 Base-Backbone interact. energy: 1.366 local terms energy: -533.684847 where: bonds (distance) C4'-P energy: -94.378 bonds (distance) P-C4' energy: -92.733 flat angles C4'-P-C4' energy: -131.087 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -153.523 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: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1694.468597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.468597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.468597 (E_RNA) where: Base-Base interactions energy: -1181.749 where: short stacking energy: -479.251 Base-Backbone interact. energy: -1.253 local terms energy: -511.467355 where: bonds (distance) C4'-P energy: -99.072 bonds (distance) P-C4' energy: -123.905 flat angles C4'-P-C4' energy: -97.720 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -118.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2696.818264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.818264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.818264 (E_RNA) where: Base-Base interactions energy: -1970.215 where: short stacking energy: -762.429 Base-Backbone interact. energy: -1.331 local terms energy: -725.271717 where: bonds (distance) C4'-P energy: -118.461 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -149.932 flat angles P-C4'-P energy: -116.755 tors. eta vs tors. theta energy: -223.653 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: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2610.816254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.816254 (E_RNA) where: Base-Base interactions energy: -1910.659 where: short stacking energy: -735.945 Base-Backbone interact. energy: -0.808 local terms energy: -699.349844 where: bonds (distance) C4'-P energy: -120.821 bonds (distance) P-C4' energy: -109.326 flat angles C4'-P-C4' energy: -151.724 flat angles P-C4'-P energy: -103.298 tors. eta vs tors. theta energy: -214.182 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: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2600.606933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.606933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.606933 (E_RNA) where: Base-Base interactions energy: -1900.618 where: short stacking energy: -726.914 Base-Backbone interact. energy: 0.448 local terms energy: -700.437646 where: bonds (distance) C4'-P energy: -120.691 bonds (distance) P-C4' energy: -119.254 flat angles C4'-P-C4' energy: -150.230 flat angles P-C4'-P energy: -97.457 tors. eta vs tors. theta energy: -212.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2477.126871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.126871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.126871 (E_RNA) where: Base-Base interactions energy: -1808.916 where: short stacking energy: -704.021 Base-Backbone interact. energy: -0.975 local terms energy: -667.236425 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -111.291 flat angles C4'-P-C4' energy: -141.235 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -211.986 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: 280 Temperature: 1.100000 Total energy: -2400.204573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.204573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.204573 (E_RNA) where: Base-Base interactions energy: -1742.093 where: short stacking energy: -671.709 Base-Backbone interact. energy: -0.571 local terms energy: -657.540222 where: bonds (distance) C4'-P energy: -97.172 bonds (distance) P-C4' energy: -121.807 flat angles C4'-P-C4' energy: -146.748 flat angles P-C4'-P energy: -84.869 tors. eta vs tors. theta energy: -206.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2355.397779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.397779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.397779 (E_RNA) where: Base-Base interactions energy: -1700.800 where: short stacking energy: -664.719 Base-Backbone interact. energy: -1.931 local terms energy: -652.666212 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -115.739 flat angles C4'-P-C4' energy: -138.174 flat angles P-C4'-P energy: -90.979 tors. eta vs tors. theta energy: -194.271 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: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2286.959590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.959590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.959590 (E_RNA) where: Base-Base interactions energy: -1682.992 where: short stacking energy: -653.336 Base-Backbone interact. energy: -0.530 local terms energy: -603.438142 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -101.462 flat angles C4'-P-C4' energy: -119.790 flat angles P-C4'-P energy: -90.642 tors. eta vs tors. theta energy: -198.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2238.334826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.334826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.334826 (E_RNA) where: Base-Base interactions energy: -1605.881 where: short stacking energy: -640.035 Base-Backbone interact. energy: -1.638 local terms energy: -630.815853 where: bonds (distance) C4'-P energy: -97.930 bonds (distance) P-C4' energy: -101.911 flat angles C4'-P-C4' energy: -138.618 flat angles P-C4'-P energy: -96.944 tors. eta vs tors. theta energy: -195.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1972.371622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.371622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.371622 (E_RNA) where: Base-Base interactions energy: -1413.466 where: short stacking energy: -551.859 Base-Backbone interact. energy: -0.470 local terms energy: -558.435407 where: bonds (distance) C4'-P energy: -98.781 bonds (distance) P-C4' energy: -113.661 flat angles C4'-P-C4' energy: -115.286 flat angles P-C4'-P energy: -77.865 tors. eta vs tors. theta energy: -152.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1686.485568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.485568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.485568 (E_RNA) where: Base-Base interactions energy: -1199.783 where: short stacking energy: -477.596 Base-Backbone interact. energy: 0.106 local terms energy: -486.807924 where: bonds (distance) C4'-P energy: -97.275 bonds (distance) P-C4' energy: -89.235 flat angles C4'-P-C4' energy: -108.047 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -119.565 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: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2711.170724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.170724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.170724 (E_RNA) where: Base-Base interactions energy: -1968.879 where: short stacking energy: -765.903 Base-Backbone interact. energy: -1.115 local terms energy: -741.176256 where: bonds (distance) C4'-P energy: -128.668 bonds (distance) P-C4' energy: -121.483 flat angles C4'-P-C4' energy: -152.933 flat angles P-C4'-P energy: -117.124 tors. eta vs tors. theta energy: -220.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2607.343793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.343793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.343793 (E_RNA) where: Base-Base interactions energy: -1908.414 where: short stacking energy: -724.994 Base-Backbone interact. energy: -2.138 local terms energy: -696.792114 where: bonds (distance) C4'-P energy: -111.399 bonds (distance) P-C4' energy: -120.730 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -108.139 tors. eta vs tors. theta energy: -214.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2597.864553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.864553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.864553 (E_RNA) where: Base-Base interactions energy: -1901.399 where: short stacking energy: -745.408 Base-Backbone interact. energy: -2.343 local terms energy: -694.123393 where: bonds (distance) C4'-P energy: -103.638 bonds (distance) P-C4' energy: -122.865 flat angles C4'-P-C4' energy: -146.982 flat angles P-C4'-P energy: -100.481 tors. eta vs tors. theta energy: -220.156 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: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2488.552460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.552460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.552460 (E_RNA) where: Base-Base interactions energy: -1824.430 where: short stacking energy: -714.883 Base-Backbone interact. energy: 5.228 local terms energy: -669.350344 where: bonds (distance) C4'-P energy: -99.945 bonds (distance) P-C4' energy: -114.243 flat angles C4'-P-C4' energy: -141.907 flat angles P-C4'-P energy: -101.295 tors. eta vs tors. theta energy: -211.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2382.699098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.699098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.699098 (E_RNA) where: Base-Base interactions energy: -1740.018 where: short stacking energy: -661.137 Base-Backbone interact. energy: -0.565 local terms energy: -642.116376 where: bonds (distance) C4'-P energy: -103.697 bonds (distance) P-C4' energy: -118.218 flat angles C4'-P-C4' energy: -131.698 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -196.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2372.213076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.213076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.213076 (E_RNA) where: Base-Base interactions energy: -1720.991 where: short stacking energy: -660.813 Base-Backbone interact. energy: -2.358 local terms energy: -648.863983 where: bonds (distance) C4'-P energy: -118.395 bonds (distance) P-C4' energy: -106.741 flat angles C4'-P-C4' energy: -137.576 flat angles P-C4'-P energy: -91.818 tors. eta vs tors. theta energy: -194.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2311.591464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.591464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.591464 (E_RNA) where: Base-Base interactions energy: -1668.579 where: short stacking energy: -658.578 Base-Backbone interact. energy: -0.039 local terms energy: -642.973746 where: bonds (distance) C4'-P energy: -107.624 bonds (distance) P-C4' energy: -110.861 flat angles C4'-P-C4' energy: -134.116 flat angles P-C4'-P energy: -89.423 tors. eta vs tors. theta energy: -200.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2170.741334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.741334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.741334 (E_RNA) where: Base-Base interactions energy: -1603.214 where: short stacking energy: -620.066 Base-Backbone interact. energy: -0.699 local terms energy: -566.828533 where: bonds (distance) C4'-P energy: -95.728 bonds (distance) P-C4' energy: -92.011 flat angles C4'-P-C4' energy: -117.880 flat angles P-C4'-P energy: -75.789 tors. eta vs tors. theta energy: -185.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1996.957388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.957388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.957388 (E_RNA) where: Base-Base interactions energy: -1455.636 where: short stacking energy: -554.908 Base-Backbone interact. energy: 2.724 local terms energy: -544.045595 where: bonds (distance) C4'-P energy: -94.389 bonds (distance) P-C4' energy: -104.735 flat angles C4'-P-C4' energy: -117.191 flat angles P-C4'-P energy: -58.890 tors. eta vs tors. theta energy: -168.841 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: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1668.165797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.165797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.165797 (E_RNA) where: Base-Base interactions energy: -1158.490 where: short stacking energy: -449.196 Base-Backbone interact. energy: 0.390 local terms energy: -510.065031 where: bonds (distance) C4'-P energy: -96.382 bonds (distance) P-C4' energy: -99.003 flat angles C4'-P-C4' energy: -117.744 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -124.099 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: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2710.771888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.771888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.771888 (E_RNA) where: Base-Base interactions energy: -1988.788 where: short stacking energy: -763.347 Base-Backbone interact. energy: 0.493 local terms energy: -722.476978 where: bonds (distance) C4'-P energy: -120.073 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -153.237 flat angles P-C4'-P energy: -96.930 tors. eta vs tors. theta energy: -231.454 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: 282 Temperature: 0.950000 Total energy: -2608.248244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.248244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.248244 (E_RNA) where: Base-Base interactions energy: -1918.559 where: short stacking energy: -728.554 Base-Backbone interact. energy: -0.120 local terms energy: -689.569372 where: bonds (distance) C4'-P energy: -126.616 bonds (distance) P-C4' energy: -106.458 flat angles C4'-P-C4' energy: -144.648 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -214.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2596.445116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.445116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.445116 (E_RNA) where: Base-Base interactions energy: -1891.253 where: short stacking energy: -728.212 Base-Backbone interact. energy: -1.128 local terms energy: -704.064805 where: bonds (distance) C4'-P energy: -128.986 bonds (distance) P-C4' energy: -121.848 flat angles C4'-P-C4' energy: -137.014 flat angles P-C4'-P energy: -102.299 tors. eta vs tors. theta energy: -213.917 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: 282 Temperature: 1.050000 Total energy: -2517.768741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.768741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.768741 (E_RNA) where: Base-Base interactions energy: -1854.775 where: short stacking energy: -716.670 Base-Backbone interact. energy: -1.485 local terms energy: -661.508728 where: bonds (distance) C4'-P energy: -115.770 bonds (distance) P-C4' energy: -95.338 flat angles C4'-P-C4' energy: -141.402 flat angles P-C4'-P energy: -94.911 tors. eta vs tors. theta energy: -214.087 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: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2412.737460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.737460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.737460 (E_RNA) where: Base-Base interactions energy: -1759.039 where: short stacking energy: -664.265 Base-Backbone interact. energy: -0.915 local terms energy: -652.783138 where: bonds (distance) C4'-P energy: -121.407 bonds (distance) P-C4' energy: -105.088 flat angles C4'-P-C4' energy: -128.135 flat angles P-C4'-P energy: -94.474 tors. eta vs tors. theta energy: -203.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2376.929779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.929779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.929779 (E_RNA) where: Base-Base interactions energy: -1739.313 where: short stacking energy: -673.620 Base-Backbone interact. energy: 0.836 local terms energy: -638.452942 where: bonds (distance) C4'-P energy: -111.247 bonds (distance) P-C4' energy: -119.407 flat angles C4'-P-C4' energy: -114.618 flat angles P-C4'-P energy: -94.931 tors. eta vs tors. theta energy: -198.249 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: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2310.548058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.548058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.548058 (E_RNA) where: Base-Base interactions energy: -1661.471 where: short stacking energy: -660.191 Base-Backbone interact. energy: -0.588 local terms energy: -648.489327 where: bonds (distance) C4'-P energy: -117.581 bonds (distance) P-C4' energy: -119.742 flat angles C4'-P-C4' energy: -123.238 flat angles P-C4'-P energy: -98.873 tors. eta vs tors. theta energy: -189.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2202.651397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.651397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.651397 (E_RNA) where: Base-Base interactions energy: -1580.958 where: short stacking energy: -611.217 Base-Backbone interact. energy: -0.796 local terms energy: -620.898095 where: bonds (distance) C4'-P energy: -98.260 bonds (distance) P-C4' energy: -104.576 flat angles C4'-P-C4' energy: -123.631 flat angles P-C4'-P energy: -97.943 tors. eta vs tors. theta energy: -196.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1923.050907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.050907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.050907 (E_RNA) where: Base-Base interactions energy: -1386.208 where: short stacking energy: -531.674 Base-Backbone interact. energy: -0.902 local terms energy: -535.941048 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -93.638 flat angles C4'-P-C4' energy: -124.505 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -140.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1790.796361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.796361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.796361 (E_RNA) where: Base-Base interactions energy: -1256.639 where: short stacking energy: -518.323 Base-Backbone interact. energy: -1.276 local terms energy: -532.881426 where: bonds (distance) C4'-P energy: -91.309 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -118.448 flat angles P-C4'-P energy: -82.010 tors. eta vs tors. theta energy: -140.136 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: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2728.053638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.053638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.053638 (E_RNA) where: Base-Base interactions energy: -1981.466 where: short stacking energy: -768.477 Base-Backbone interact. energy: -0.296 local terms energy: -746.292019 where: bonds (distance) C4'-P energy: -117.607 bonds (distance) P-C4' energy: -136.060 flat angles C4'-P-C4' energy: -155.331 flat angles P-C4'-P energy: -109.762 tors. eta vs tors. theta energy: -227.533 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: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2633.080769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.080769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.080769 (E_RNA) where: Base-Base interactions energy: -1940.015 where: short stacking energy: -743.790 Base-Backbone interact. energy: 1.063 local terms energy: -694.129222 where: bonds (distance) C4'-P energy: -123.480 bonds (distance) P-C4' energy: -118.308 flat angles C4'-P-C4' energy: -141.635 flat angles P-C4'-P energy: -90.115 tors. eta vs tors. theta energy: -220.591 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: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2601.709703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.709703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.709703 (E_RNA) where: Base-Base interactions energy: -1891.439 where: short stacking energy: -735.666 Base-Backbone interact. energy: 0.647 local terms energy: -710.918088 where: bonds (distance) C4'-P energy: -126.468 bonds (distance) P-C4' energy: -112.213 flat angles C4'-P-C4' energy: -154.769 flat angles P-C4'-P energy: -96.781 tors. eta vs tors. theta energy: -220.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2510.117995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.117995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.117995 (E_RNA) where: Base-Base interactions energy: -1823.136 where: short stacking energy: -693.938 Base-Backbone interact. energy: -0.710 local terms energy: -686.272197 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -124.091 flat angles C4'-P-C4' energy: -147.418 flat angles P-C4'-P energy: -102.150 tors. eta vs tors. theta energy: -216.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2421.756318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.756318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.756318 (E_RNA) where: Base-Base interactions energy: -1763.117 where: short stacking energy: -691.325 Base-Backbone interact. energy: -0.587 local terms energy: -658.051893 where: bonds (distance) C4'-P energy: -112.393 bonds (distance) P-C4' energy: -116.237 flat angles C4'-P-C4' energy: -140.097 flat angles P-C4'-P energy: -82.100 tors. eta vs tors. theta energy: -207.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2338.530935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.530935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.530935 (E_RNA) where: Base-Base interactions energy: -1690.388 where: short stacking energy: -664.843 Base-Backbone interact. energy: 1.313 local terms energy: -649.456054 where: bonds (distance) C4'-P energy: -101.031 bonds (distance) P-C4' energy: -109.933 flat angles C4'-P-C4' energy: -138.461 flat angles P-C4'-P energy: -93.285 tors. eta vs tors. theta energy: -206.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2365.832767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.832767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.832767 (E_RNA) where: Base-Base interactions energy: -1727.347 where: short stacking energy: -667.824 Base-Backbone interact. energy: -4.116 local terms energy: -634.369423 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -98.051 flat angles C4'-P-C4' energy: -135.112 flat angles P-C4'-P energy: -93.270 tors. eta vs tors. theta energy: -195.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2216.498883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.498883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.498883 (E_RNA) where: Base-Base interactions energy: -1582.149 where: short stacking energy: -615.732 Base-Backbone interact. energy: -0.829 local terms energy: -633.520870 where: bonds (distance) C4'-P energy: -113.500 bonds (distance) P-C4' energy: -123.486 flat angles C4'-P-C4' energy: -128.111 flat angles P-C4'-P energy: -92.993 tors. eta vs tors. theta energy: -175.432 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: 283 Temperature: 1.300000 Total energy: -1970.020343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.020343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.020343 (E_RNA) where: Base-Base interactions energy: -1398.832 where: short stacking energy: -545.334 Base-Backbone interact. energy: 3.362 local terms energy: -574.550329 where: bonds (distance) C4'-P energy: -115.668 bonds (distance) P-C4' energy: -98.367 flat angles C4'-P-C4' energy: -126.463 flat angles P-C4'-P energy: -90.077 tors. eta vs tors. theta energy: -143.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1743.251142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.251142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.251142 (E_RNA) where: Base-Base interactions energy: -1226.982 where: short stacking energy: -488.171 Base-Backbone interact. energy: -0.973 local terms energy: -515.296059 where: bonds (distance) C4'-P energy: -93.543 bonds (distance) P-C4' energy: -91.205 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -79.882 tors. eta vs tors. theta energy: -138.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2710.050737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.050737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.050737 (E_RNA) where: Base-Base interactions energy: -1966.380 where: short stacking energy: -759.078 Base-Backbone interact. energy: -1.180 local terms energy: -742.491459 where: bonds (distance) C4'-P energy: -115.372 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -155.769 flat angles P-C4'-P energy: -113.528 tors. eta vs tors. theta energy: -224.865 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: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2614.707988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.707988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.707988 (E_RNA) where: Base-Base interactions energy: -1910.608 where: short stacking energy: -740.407 Base-Backbone interact. energy: -1.925 local terms energy: -702.174844 where: bonds (distance) C4'-P energy: -119.838 bonds (distance) P-C4' energy: -117.472 flat angles C4'-P-C4' energy: -145.320 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -225.024 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: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2595.169786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.169786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.169786 (E_RNA) where: Base-Base interactions energy: -1893.887 where: short stacking energy: -746.946 Base-Backbone interact. energy: -2.254 local terms energy: -699.028364 where: bonds (distance) C4'-P energy: -118.871 bonds (distance) P-C4' energy: -118.813 flat angles C4'-P-C4' energy: -151.966 flat angles P-C4'-P energy: -93.822 tors. eta vs tors. theta energy: -215.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2504.622651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.622651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.622651 (E_RNA) where: Base-Base interactions energy: -1827.390 where: short stacking energy: -717.820 Base-Backbone interact. energy: 5.018 local terms energy: -682.250624 where: bonds (distance) C4'-P energy: -106.833 bonds (distance) P-C4' energy: -115.281 flat angles C4'-P-C4' energy: -139.401 flat angles P-C4'-P energy: -105.771 tors. eta vs tors. theta energy: -214.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2400.526338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.526338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.526338 (E_RNA) where: Base-Base interactions energy: -1748.264 where: short stacking energy: -671.953 Base-Backbone interact. energy: 0.117 local terms energy: -652.380039 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -108.617 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -205.639 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: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2372.715383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.715383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.715383 (E_RNA) where: Base-Base interactions energy: -1746.451 where: short stacking energy: -679.470 Base-Backbone interact. energy: -0.207 local terms energy: -626.056951 where: bonds (distance) C4'-P energy: -87.168 bonds (distance) P-C4' energy: -111.278 flat angles C4'-P-C4' energy: -134.458 flat angles P-C4'-P energy: -90.435 tors. eta vs tors. theta energy: -202.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2344.668516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.668516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.668516 (E_RNA) where: Base-Base interactions energy: -1713.278 where: short stacking energy: -671.350 Base-Backbone interact. energy: -2.436 local terms energy: -628.954849 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -113.157 flat angles C4'-P-C4' energy: -140.445 flat angles P-C4'-P energy: -88.572 tors. eta vs tors. theta energy: -196.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -2223.525043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.525043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.525043 (E_RNA) where: Base-Base interactions energy: -1640.791 where: short stacking energy: -644.128 Base-Backbone interact. energy: 2.025 local terms energy: -584.758892 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -100.517 flat angles C4'-P-C4' energy: -127.128 flat angles P-C4'-P energy: -59.846 tors. eta vs tors. theta energy: -197.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1946.152688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.152688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.152688 (E_RNA) where: Base-Base interactions energy: -1399.893 where: short stacking energy: -542.558 Base-Backbone interact. energy: 0.704 local terms energy: -546.964152 where: bonds (distance) C4'-P energy: -100.666 bonds (distance) P-C4' energy: -94.271 flat angles C4'-P-C4' energy: -121.438 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: -147.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1752.720335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.720335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.720335 (E_RNA) where: Base-Base interactions energy: -1242.249 where: short stacking energy: -494.461 Base-Backbone interact. energy: -1.271 local terms energy: -509.200583 where: bonds (distance) C4'-P energy: -95.059 bonds (distance) P-C4' energy: -101.211 flat angles C4'-P-C4' energy: -111.097 flat angles P-C4'-P energy: -77.625 tors. eta vs tors. theta energy: -124.208 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: 285 Temperature: 0.900000 Total energy: -2704.201337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.201337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.201337 (E_RNA) where: Base-Base interactions energy: -1969.796 where: short stacking energy: -756.178 Base-Backbone interact. energy: -0.864 local terms energy: -733.541530 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -129.757 flat angles C4'-P-C4' energy: -153.116 flat angles P-C4'-P energy: -99.840 tors. eta vs tors. theta energy: -227.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2643.445003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.445003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.445003 (E_RNA) where: Base-Base interactions energy: -1929.044 where: short stacking energy: -744.422 Base-Backbone interact. energy: -1.276 local terms energy: -713.125327 where: bonds (distance) C4'-P energy: -120.704 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -147.267 flat angles P-C4'-P energy: -104.027 tors. eta vs tors. theta energy: -220.105 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: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2575.892249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.892249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.892249 (E_RNA) where: Base-Base interactions energy: -1874.191 where: short stacking energy: -731.672 Base-Backbone interact. energy: 0.467 local terms energy: -702.169061 where: bonds (distance) C4'-P energy: -119.639 bonds (distance) P-C4' energy: -103.465 flat angles C4'-P-C4' energy: -156.096 flat angles P-C4'-P energy: -105.706 tors. eta vs tors. theta energy: -217.264 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: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2531.338621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.338621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.338621 (E_RNA) where: Base-Base interactions energy: -1833.686 where: short stacking energy: -713.289 Base-Backbone interact. energy: -0.084 local terms energy: -697.568543 where: bonds (distance) C4'-P energy: -122.620 bonds (distance) P-C4' energy: -114.805 flat angles C4'-P-C4' energy: -142.908 flat angles P-C4'-P energy: -108.880 tors. eta vs tors. theta energy: -208.355 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: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2404.914565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.914565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.914565 (E_RNA) where: Base-Base interactions energy: -1762.178 where: short stacking energy: -687.108 Base-Backbone interact. energy: -1.544 local terms energy: -641.192272 where: bonds (distance) C4'-P energy: -109.758 bonds (distance) P-C4' energy: -114.508 flat angles C4'-P-C4' energy: -136.457 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -202.087 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: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2351.255004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.255004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.255004 (E_RNA) where: Base-Base interactions energy: -1730.370 where: short stacking energy: -678.803 Base-Backbone interact. energy: 0.624 local terms energy: -621.509490 where: bonds (distance) C4'-P energy: -109.810 bonds (distance) P-C4' energy: -90.622 flat angles C4'-P-C4' energy: -131.458 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -198.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2299.139181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.139181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.139181 (E_RNA) where: Base-Base interactions energy: -1694.638 where: short stacking energy: -629.679 Base-Backbone interact. energy: -1.906 local terms energy: -602.595161 where: bonds (distance) C4'-P energy: -110.733 bonds (distance) P-C4' energy: -93.459 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -83.205 tors. eta vs tors. theta energy: -181.139 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: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -2189.599423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.599423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.599423 (E_RNA) where: Base-Base interactions energy: -1583.794 where: short stacking energy: -621.417 Base-Backbone interact. energy: -0.277 local terms energy: -605.528375 where: bonds (distance) C4'-P energy: -97.900 bonds (distance) P-C4' energy: -101.995 flat angles C4'-P-C4' energy: -131.202 flat angles P-C4'-P energy: -77.447 tors. eta vs tors. theta energy: -196.985 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: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1960.208200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.208200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.208200 (E_RNA) where: Base-Base interactions energy: -1420.884 where: short stacking energy: -538.369 Base-Backbone interact. energy: -1.383 local terms energy: -537.941010 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -113.928 flat angles C4'-P-C4' energy: -112.235 flat angles P-C4'-P energy: -72.358 tors. eta vs tors. theta energy: -141.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1672.579439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.579439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.579439 (E_RNA) where: Base-Base interactions energy: -1191.340 where: short stacking energy: -472.034 Base-Backbone interact. energy: -0.836 local terms energy: -480.403578 where: bonds (distance) C4'-P energy: -87.381 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -98.290 flat angles P-C4'-P energy: -75.413 tors. eta vs tors. theta energy: -119.475 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: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2700.446192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.446192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.446192 (E_RNA) where: Base-Base interactions energy: -1979.669 where: short stacking energy: -764.585 Base-Backbone interact. energy: 0.227 local terms energy: -721.004027 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -127.722 flat angles C4'-P-C4' energy: -147.050 flat angles P-C4'-P energy: -101.673 tors. eta vs tors. theta energy: -227.612 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: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2636.802400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.802400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.802400 (E_RNA) where: Base-Base interactions energy: -1944.693 where: short stacking energy: -742.431 Base-Backbone interact. energy: -0.562 local terms energy: -691.548063 where: bonds (distance) C4'-P energy: -112.478 bonds (distance) P-C4' energy: -123.136 flat angles C4'-P-C4' energy: -152.433 flat angles P-C4'-P energy: -88.545 tors. eta vs tors. theta energy: -214.957 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: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2575.043174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.043174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.043174 (E_RNA) where: Base-Base interactions energy: -1868.094 where: short stacking energy: -726.670 Base-Backbone interact. energy: -2.232 local terms energy: -704.718065 where: bonds (distance) C4'-P energy: -125.554 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -151.389 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -220.402 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: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2511.404820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.404820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.404820 (E_RNA) where: Base-Base interactions energy: -1815.879 where: short stacking energy: -712.348 Base-Backbone interact. energy: -1.856 local terms energy: -693.669939 where: bonds (distance) C4'-P energy: -115.199 bonds (distance) P-C4' energy: -116.038 flat angles C4'-P-C4' energy: -150.430 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: -217.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2410.647258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.647258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.647258 (E_RNA) where: Base-Base interactions energy: -1733.622 where: short stacking energy: -672.160 Base-Backbone interact. energy: -1.799 local terms energy: -675.225381 where: bonds (distance) C4'-P energy: -110.119 bonds (distance) P-C4' energy: -125.993 flat angles C4'-P-C4' energy: -142.181 flat angles P-C4'-P energy: -104.116 tors. eta vs tors. theta energy: -192.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2342.599911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.599911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.599911 (E_RNA) where: Base-Base interactions energy: -1705.192 where: short stacking energy: -663.572 Base-Backbone interact. energy: -1.893 local terms energy: -635.514145 where: bonds (distance) C4'-P energy: -107.153 bonds (distance) P-C4' energy: -110.895 flat angles C4'-P-C4' energy: -127.561 flat angles P-C4'-P energy: -96.127 tors. eta vs tors. theta energy: -193.778 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: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2329.906096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.906096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.906096 (E_RNA) where: Base-Base interactions energy: -1700.138 where: short stacking energy: -658.804 Base-Backbone interact. energy: 0.206 local terms energy: -629.974332 where: bonds (distance) C4'-P energy: -106.824 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -131.505 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -199.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -2142.968628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.968628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.968628 (E_RNA) where: Base-Base interactions energy: -1537.488 where: short stacking energy: -566.970 Base-Backbone interact. energy: -1.538 local terms energy: -603.942125 where: bonds (distance) C4'-P energy: -94.009 bonds (distance) P-C4' energy: -118.087 flat angles C4'-P-C4' energy: -129.643 flat angles P-C4'-P energy: -90.580 tors. eta vs tors. theta energy: -171.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1894.690974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.690974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.690974 (E_RNA) where: Base-Base interactions energy: -1380.740 where: short stacking energy: -539.549 Base-Backbone interact. energy: 1.452 local terms energy: -515.403590 where: bonds (distance) C4'-P energy: -87.337 bonds (distance) P-C4' energy: -83.078 flat angles C4'-P-C4' energy: -109.430 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -151.470 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: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1665.170340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.170340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.170340 (E_RNA) where: Base-Base interactions energy: -1185.129 where: short stacking energy: -490.127 Base-Backbone interact. energy: -1.197 local terms energy: -478.844923 where: bonds (distance) C4'-P energy: -91.653 bonds (distance) P-C4' energy: -101.014 flat angles C4'-P-C4' energy: -101.940 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -116.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2707.025037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.025037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.025037 (E_RNA) where: Base-Base interactions energy: -1981.919 where: short stacking energy: -770.066 Base-Backbone interact. energy: -1.972 local terms energy: -723.134338 where: bonds (distance) C4'-P energy: -111.330 bonds (distance) P-C4' energy: -133.268 flat angles C4'-P-C4' energy: -155.491 flat angles P-C4'-P energy: -94.958 tors. eta vs tors. theta energy: -228.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2640.062470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.062470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.062470 (E_RNA) where: Base-Base interactions energy: -1932.005 where: short stacking energy: -750.854 Base-Backbone interact. energy: -2.390 local terms energy: -705.666852 where: bonds (distance) C4'-P energy: -131.147 bonds (distance) P-C4' energy: -107.770 flat angles C4'-P-C4' energy: -154.731 flat angles P-C4'-P energy: -93.593 tors. eta vs tors. theta energy: -218.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2605.743544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.743544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.743544 (E_RNA) where: Base-Base interactions energy: -1917.164 where: short stacking energy: -740.463 Base-Backbone interact. energy: -1.480 local terms energy: -687.099434 where: bonds (distance) C4'-P energy: -111.244 bonds (distance) P-C4' energy: -122.279 flat angles C4'-P-C4' energy: -142.685 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -224.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2428.993467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.993467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.993467 (E_RNA) where: Base-Base interactions energy: -1782.416 where: short stacking energy: -700.277 Base-Backbone interact. energy: -0.122 local terms energy: -646.455636 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -131.559 flat angles C4'-P-C4' energy: -130.037 flat angles P-C4'-P energy: -88.038 tors. eta vs tors. theta energy: -190.824 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: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2476.510494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.510494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.510494 (E_RNA) where: Base-Base interactions energy: -1777.442 where: short stacking energy: -690.855 Base-Backbone interact. energy: -1.573 local terms energy: -697.495092 where: bonds (distance) C4'-P energy: -112.509 bonds (distance) P-C4' energy: -117.579 flat angles C4'-P-C4' energy: -151.148 flat angles P-C4'-P energy: -106.846 tors. eta vs tors. theta energy: -209.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2323.932544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.932544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.932544 (E_RNA) where: Base-Base interactions energy: -1687.794 where: short stacking energy: -654.252 Base-Backbone interact. energy: -0.495 local terms energy: -635.643694 where: bonds (distance) C4'-P energy: -109.083 bonds (distance) P-C4' energy: -125.891 flat angles C4'-P-C4' energy: -124.639 flat angles P-C4'-P energy: -85.862 tors. eta vs tors. theta energy: -190.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2282.460085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.460085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.460085 (E_RNA) where: Base-Base interactions energy: -1670.391 where: short stacking energy: -631.811 Base-Backbone interact. energy: 0.292 local terms energy: -612.360686 where: bonds (distance) C4'-P energy: -100.792 bonds (distance) P-C4' energy: -109.105 flat angles C4'-P-C4' energy: -116.380 flat angles P-C4'-P energy: -95.580 tors. eta vs tors. theta energy: -190.503 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: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -2187.004938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.004938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.004938 (E_RNA) where: Base-Base interactions energy: -1576.026 where: short stacking energy: -610.964 Base-Backbone interact. energy: 1.354 local terms energy: -612.332406 where: bonds (distance) C4'-P energy: -111.309 bonds (distance) P-C4' energy: -104.525 flat angles C4'-P-C4' energy: -135.507 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -179.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1922.414871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.414871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.414871 (E_RNA) where: Base-Base interactions energy: -1413.237 where: short stacking energy: -542.118 Base-Backbone interact. energy: 0.613 local terms energy: -509.791308 where: bonds (distance) C4'-P energy: -87.443 bonds (distance) P-C4' energy: -90.634 flat angles C4'-P-C4' energy: -107.202 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -147.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1645.222573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.222573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.222573 (E_RNA) where: Base-Base interactions energy: -1183.546 where: short stacking energy: -456.611 Base-Backbone interact. energy: 1.267 local terms energy: -462.943323 where: bonds (distance) C4'-P energy: -88.169 bonds (distance) P-C4' energy: -99.030 flat angles C4'-P-C4' energy: -112.476 flat angles P-C4'-P energy: -58.305 tors. eta vs tors. theta energy: -104.962 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: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2688.503054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.503054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.503054 (E_RNA) where: Base-Base interactions energy: -1953.783 where: short stacking energy: -773.492 Base-Backbone interact. energy: -0.669 local terms energy: -734.050790 where: bonds (distance) C4'-P energy: -123.432 bonds (distance) P-C4' energy: -133.785 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -100.165 tors. eta vs tors. theta energy: -222.732 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: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2624.006861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.006861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.006861 (E_RNA) where: Base-Base interactions energy: -1910.852 where: short stacking energy: -749.735 Base-Backbone interact. energy: -3.472 local terms energy: -709.682431 where: bonds (distance) C4'-P energy: -128.540 bonds (distance) P-C4' energy: -121.317 flat angles C4'-P-C4' energy: -146.126 flat angles P-C4'-P energy: -96.526 tors. eta vs tors. theta energy: -217.174 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: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2593.200704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.200704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.200704 (E_RNA) where: Base-Base interactions energy: -1895.539 where: short stacking energy: -736.554 Base-Backbone interact. energy: -1.030 local terms energy: -696.631855 where: bonds (distance) C4'-P energy: -109.648 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -105.278 tors. eta vs tors. theta energy: -214.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2429.377744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.377744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.377744 (E_RNA) where: Base-Base interactions energy: -1779.202 where: short stacking energy: -695.483 Base-Backbone interact. energy: -1.782 local terms energy: -648.393380 where: bonds (distance) C4'-P energy: -111.649 bonds (distance) P-C4' energy: -122.122 flat angles C4'-P-C4' energy: -136.738 flat angles P-C4'-P energy: -80.234 tors. eta vs tors. theta energy: -197.651 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: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2473.673472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.673472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.673472 (E_RNA) where: Base-Base interactions energy: -1807.037 where: short stacking energy: -704.808 Base-Backbone interact. energy: -2.184 local terms energy: -664.451870 where: bonds (distance) C4'-P energy: -113.037 bonds (distance) P-C4' energy: -110.345 flat angles C4'-P-C4' energy: -138.583 flat angles P-C4'-P energy: -99.907 tors. eta vs tors. theta energy: -202.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2377.730718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.730718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.730718 (E_RNA) where: Base-Base interactions energy: -1718.886 where: short stacking energy: -673.725 Base-Backbone interact. energy: -2.284 local terms energy: -656.561397 where: bonds (distance) C4'-P energy: -98.758 bonds (distance) P-C4' energy: -121.206 flat angles C4'-P-C4' energy: -139.337 flat angles P-C4'-P energy: -94.037 tors. eta vs tors. theta energy: -203.222 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: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2309.313238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.313238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.313238 (E_RNA) where: Base-Base interactions energy: -1673.565 where: short stacking energy: -654.773 Base-Backbone interact. energy: -0.599 local terms energy: -635.149659 where: bonds (distance) C4'-P energy: -105.004 bonds (distance) P-C4' energy: -99.400 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -96.165 tors. eta vs tors. theta energy: -194.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -2164.273840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.273840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.273840 (E_RNA) where: Base-Base interactions energy: -1594.386 where: short stacking energy: -623.017 Base-Backbone interact. energy: 0.247 local terms energy: -570.134971 where: bonds (distance) C4'-P energy: -97.505 bonds (distance) P-C4' energy: -86.153 flat angles C4'-P-C4' energy: -122.215 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -182.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1965.887816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.887816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.887816 (E_RNA) where: Base-Base interactions energy: -1424.432 where: short stacking energy: -547.923 Base-Backbone interact. energy: -0.289 local terms energy: -541.166172 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -102.807 flat angles C4'-P-C4' energy: -120.500 flat angles P-C4'-P energy: -70.518 tors. eta vs tors. theta energy: -156.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1667.370359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.370359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.370359 (E_RNA) where: Base-Base interactions energy: -1168.434 where: short stacking energy: -456.949 Base-Backbone interact. energy: 1.254 local terms energy: -500.190128 where: bonds (distance) C4'-P energy: -98.108 bonds (distance) P-C4' energy: -71.990 flat angles C4'-P-C4' energy: -127.391 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -131.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2698.753392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.753392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.753392 (E_RNA) where: Base-Base interactions energy: -1967.801 where: short stacking energy: -760.883 Base-Backbone interact. energy: -0.630 local terms energy: -730.322261 where: bonds (distance) C4'-P energy: -121.460 bonds (distance) P-C4' energy: -128.475 flat angles C4'-P-C4' energy: -149.017 flat angles P-C4'-P energy: -98.701 tors. eta vs tors. theta energy: -232.669 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: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2621.965375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.965375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.965375 (E_RNA) where: Base-Base interactions energy: -1906.766 where: short stacking energy: -741.892 Base-Backbone interact. energy: -2.045 local terms energy: -713.154335 where: bonds (distance) C4'-P energy: -133.793 bonds (distance) P-C4' energy: -128.371 flat angles C4'-P-C4' energy: -138.534 flat angles P-C4'-P energy: -97.502 tors. eta vs tors. theta energy: -214.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2601.917166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.917166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.917166 (E_RNA) where: Base-Base interactions energy: -1905.039 where: short stacking energy: -740.526 Base-Backbone interact. energy: 1.483 local terms energy: -698.360481 where: bonds (distance) C4'-P energy: -117.398 bonds (distance) P-C4' energy: -131.782 flat angles C4'-P-C4' energy: -141.136 flat angles P-C4'-P energy: -95.450 tors. eta vs tors. theta energy: -212.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2467.234252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.234252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.234252 (E_RNA) where: Base-Base interactions energy: -1796.861 where: short stacking energy: -701.281 Base-Backbone interact. energy: -0.944 local terms energy: -669.429626 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -113.394 flat angles C4'-P-C4' energy: -150.022 flat angles P-C4'-P energy: -82.653 tors. eta vs tors. theta energy: -211.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2403.955693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.955693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.955693 (E_RNA) where: Base-Base interactions energy: -1758.216 where: short stacking energy: -676.169 Base-Backbone interact. energy: -1.913 local terms energy: -643.826958 where: bonds (distance) C4'-P energy: -102.034 bonds (distance) P-C4' energy: -107.456 flat angles C4'-P-C4' energy: -135.116 flat angles P-C4'-P energy: -106.397 tors. eta vs tors. theta energy: -192.824 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: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2375.719948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.719948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.719948 (E_RNA) where: Base-Base interactions energy: -1715.973 where: short stacking energy: -679.651 Base-Backbone interact. energy: -0.600 local terms energy: -659.146680 where: bonds (distance) C4'-P energy: -109.942 bonds (distance) P-C4' energy: -122.275 flat angles C4'-P-C4' energy: -127.910 flat angles P-C4'-P energy: -83.274 tors. eta vs tors. theta energy: -215.746 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: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2283.813673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.813673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.813673 (E_RNA) where: Base-Base interactions energy: -1662.052 where: short stacking energy: -628.195 Base-Backbone interact. energy: -0.731 local terms energy: -621.030627 where: bonds (distance) C4'-P energy: -107.828 bonds (distance) P-C4' energy: -96.068 flat angles C4'-P-C4' energy: -122.144 flat angles P-C4'-P energy: -98.905 tors. eta vs tors. theta energy: -196.086 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: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -2186.676594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.676594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.676594 (E_RNA) where: Base-Base interactions energy: -1601.979 where: short stacking energy: -607.895 Base-Backbone interact. energy: -0.676 local terms energy: -584.022243 where: bonds (distance) C4'-P energy: -95.682 bonds (distance) P-C4' energy: -101.514 flat angles C4'-P-C4' energy: -123.208 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -188.133 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: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1968.373113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.373113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.373113 (E_RNA) where: Base-Base interactions energy: -1421.628 where: short stacking energy: -557.866 Base-Backbone interact. energy: -1.102 local terms energy: -545.643475 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -100.684 flat angles C4'-P-C4' energy: -103.209 flat angles P-C4'-P energy: -72.110 tors. eta vs tors. theta energy: -159.678 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: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1816.603831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.603831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.603831 (E_RNA) where: Base-Base interactions energy: -1320.320 where: short stacking energy: -499.635 Base-Backbone interact. energy: -0.608 local terms energy: -495.676325 where: bonds (distance) C4'-P energy: -95.219 bonds (distance) P-C4' energy: -93.544 flat angles C4'-P-C4' energy: -106.911 flat angles P-C4'-P energy: -75.060 tors. eta vs tors. theta energy: -124.942 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: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2695.474516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.474516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.474516 (E_RNA) where: Base-Base interactions energy: -1970.519 where: short stacking energy: -762.501 Base-Backbone interact. energy: 0.199 local terms energy: -725.154147 where: bonds (distance) C4'-P energy: -128.547 bonds (distance) P-C4' energy: -116.930 flat angles C4'-P-C4' energy: -151.662 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -229.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2618.810179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.810179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.810179 (E_RNA) where: Base-Base interactions energy: -1913.701 where: short stacking energy: -744.969 Base-Backbone interact. energy: 0.083 local terms energy: -705.192317 where: bonds (distance) C4'-P energy: -118.736 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -150.215 flat angles P-C4'-P energy: -85.616 tors. eta vs tors. theta energy: -225.927 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: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2625.126740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.126740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.126740 (E_RNA) where: Base-Base interactions energy: -1931.212 where: short stacking energy: -736.841 Base-Backbone interact. energy: 0.500 local terms energy: -694.414795 where: bonds (distance) C4'-P energy: -109.286 bonds (distance) P-C4' energy: -120.102 flat angles C4'-P-C4' energy: -152.062 flat angles P-C4'-P energy: -92.843 tors. eta vs tors. theta energy: -220.122 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: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2489.602037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.602037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.602037 (E_RNA) where: Base-Base interactions energy: -1815.839 where: short stacking energy: -713.920 Base-Backbone interact. energy: -0.759 local terms energy: -673.003138 where: bonds (distance) C4'-P energy: -112.411 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -149.108 flat angles P-C4'-P energy: -100.136 tors. eta vs tors. theta energy: -209.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2409.266942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.266942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.266942 (E_RNA) where: Base-Base interactions energy: -1764.797 where: short stacking energy: -690.321 Base-Backbone interact. energy: 0.248 local terms energy: -644.718029 where: bonds (distance) C4'-P energy: -98.209 bonds (distance) P-C4' energy: -113.533 flat angles C4'-P-C4' energy: -142.348 flat angles P-C4'-P energy: -87.575 tors. eta vs tors. theta energy: -203.053 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: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2357.442764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.442764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.442764 (E_RNA) where: Base-Base interactions energy: -1700.618 where: short stacking energy: -665.936 Base-Backbone interact. energy: -2.461 local terms energy: -654.363561 where: bonds (distance) C4'-P energy: -114.539 bonds (distance) P-C4' energy: -104.889 flat angles C4'-P-C4' energy: -144.102 flat angles P-C4'-P energy: -95.996 tors. eta vs tors. theta energy: -194.837 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: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2305.690421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.690421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.690421 (E_RNA) where: Base-Base interactions energy: -1681.988 where: short stacking energy: -658.454 Base-Backbone interact. energy: -3.203 local terms energy: -620.498978 where: bonds (distance) C4'-P energy: -94.191 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -123.405 flat angles P-C4'-P energy: -85.213 tors. eta vs tors. theta energy: -197.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -2209.692422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.692422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.692422 (E_RNA) where: Base-Base interactions energy: -1617.768 where: short stacking energy: -616.666 Base-Backbone interact. energy: 3.159 local terms energy: -595.083577 where: bonds (distance) C4'-P energy: -99.998 bonds (distance) P-C4' energy: -109.512 flat angles C4'-P-C4' energy: -126.588 flat angles P-C4'-P energy: -81.828 tors. eta vs tors. theta energy: -177.157 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: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1964.124213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.124213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.124213 (E_RNA) where: Base-Base interactions energy: -1443.113 where: short stacking energy: -560.004 Base-Backbone interact. energy: -1.155 local terms energy: -519.856323 where: bonds (distance) C4'-P energy: -92.737 bonds (distance) P-C4' energy: -86.475 flat angles C4'-P-C4' energy: -119.053 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -153.217 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: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1851.051112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.051112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.051112 (E_RNA) where: Base-Base interactions energy: -1318.619 where: short stacking energy: -531.056 Base-Backbone interact. energy: 3.982 local terms energy: -536.413807 where: bonds (distance) C4'-P energy: -105.132 bonds (distance) P-C4' energy: -87.717 flat angles C4'-P-C4' energy: -118.730 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -155.506 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: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2694.224710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.224710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.224710 (E_RNA) where: Base-Base interactions energy: -1968.731 where: short stacking energy: -760.495 Base-Backbone interact. energy: -0.065 local terms energy: -725.428661 where: bonds (distance) C4'-P energy: -120.704 bonds (distance) P-C4' energy: -124.898 flat angles C4'-P-C4' energy: -148.031 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -226.617 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: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2641.277817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.277817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.277817 (E_RNA) where: Base-Base interactions energy: -1908.453 where: short stacking energy: -734.028 Base-Backbone interact. energy: -2.266 local terms energy: -730.558980 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -135.160 flat angles C4'-P-C4' energy: -154.769 flat angles P-C4'-P energy: -104.172 tors. eta vs tors. theta energy: -218.049 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: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2600.168746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.168746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.168746 (E_RNA) where: Base-Base interactions energy: -1908.430 where: short stacking energy: -733.316 Base-Backbone interact. energy: 2.628 local terms energy: -694.366772 where: bonds (distance) C4'-P energy: -110.437 bonds (distance) P-C4' energy: -127.142 flat angles C4'-P-C4' energy: -141.098 flat angles P-C4'-P energy: -98.793 tors. eta vs tors. theta energy: -216.897 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: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2467.642616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.642616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.642616 (E_RNA) where: Base-Base interactions energy: -1809.924 where: short stacking energy: -726.384 Base-Backbone interact. energy: 0.879 local terms energy: -658.597531 where: bonds (distance) C4'-P energy: -97.905 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -131.438 flat angles P-C4'-P energy: -94.653 tors. eta vs tors. theta energy: -211.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2441.700037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.700037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.700037 (E_RNA) where: Base-Base interactions energy: -1790.993 where: short stacking energy: -698.597 Base-Backbone interact. energy: -1.263 local terms energy: -649.444741 where: bonds (distance) C4'-P energy: -96.702 bonds (distance) P-C4' energy: -109.706 flat angles C4'-P-C4' energy: -141.821 flat angles P-C4'-P energy: -90.838 tors. eta vs tors. theta energy: -210.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2369.540846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.540846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.540846 (E_RNA) where: Base-Base interactions energy: -1729.241 where: short stacking energy: -657.392 Base-Backbone interact. energy: -1.310 local terms energy: -638.989897 where: bonds (distance) C4'-P energy: -106.481 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -78.042 tors. eta vs tors. theta energy: -196.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2335.841053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.841053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.841053 (E_RNA) where: Base-Base interactions energy: -1715.881 where: short stacking energy: -649.535 Base-Backbone interact. energy: 1.752 local terms energy: -621.711883 where: bonds (distance) C4'-P energy: -91.021 bonds (distance) P-C4' energy: -108.911 flat angles C4'-P-C4' energy: -133.175 flat angles P-C4'-P energy: -84.769 tors. eta vs tors. theta energy: -203.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -2193.433427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.433427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.433427 (E_RNA) where: Base-Base interactions energy: -1600.171 where: short stacking energy: -619.525 Base-Backbone interact. energy: -0.543 local terms energy: -592.719680 where: bonds (distance) C4'-P energy: -81.953 bonds (distance) P-C4' energy: -105.637 flat angles C4'-P-C4' energy: -130.253 flat angles P-C4'-P energy: -89.873 tors. eta vs tors. theta energy: -185.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -2018.860203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.860203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.860203 (E_RNA) where: Base-Base interactions energy: -1452.887 where: short stacking energy: -536.591 Base-Backbone interact. energy: -1.286 local terms energy: -564.686995 where: bonds (distance) C4'-P energy: -105.602 bonds (distance) P-C4' energy: -95.531 flat angles C4'-P-C4' energy: -116.896 flat angles P-C4'-P energy: -90.082 tors. eta vs tors. theta energy: -156.576 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: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1762.176090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.176090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.176090 (E_RNA) where: Base-Base interactions energy: -1240.146 where: short stacking energy: -487.799 Base-Backbone interact. energy: -1.377 local terms energy: -520.652985 where: bonds (distance) C4'-P energy: -89.228 bonds (distance) P-C4' energy: -101.442 flat angles C4'-P-C4' energy: -116.564 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -125.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2688.979925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.979925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.979925 (E_RNA) where: Base-Base interactions energy: -1952.864 where: short stacking energy: -764.471 Base-Backbone interact. energy: -2.196 local terms energy: -733.920745 where: bonds (distance) C4'-P energy: -117.461 bonds (distance) P-C4' energy: -128.597 flat angles C4'-P-C4' energy: -149.510 flat angles P-C4'-P energy: -111.202 tors. eta vs tors. theta energy: -227.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2605.861439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.861439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.861439 (E_RNA) where: Base-Base interactions energy: -1924.391 where: short stacking energy: -743.739 Base-Backbone interact. energy: 0.097 local terms energy: -681.567668 where: bonds (distance) C4'-P energy: -116.608 bonds (distance) P-C4' energy: -120.794 flat angles C4'-P-C4' energy: -137.336 flat angles P-C4'-P energy: -95.126 tors. eta vs tors. theta energy: -211.703 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: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2608.929904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.929904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.929904 (E_RNA) where: Base-Base interactions energy: -1936.714 where: short stacking energy: -727.792 Base-Backbone interact. energy: -1.791 local terms energy: -670.424915 where: bonds (distance) C4'-P energy: -98.086 bonds (distance) P-C4' energy: -116.957 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -91.097 tors. eta vs tors. theta energy: -222.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2479.632293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.632293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.632293 (E_RNA) where: Base-Base interactions energy: -1790.659 where: short stacking energy: -701.408 Base-Backbone interact. energy: -1.001 local terms energy: -687.971835 where: bonds (distance) C4'-P energy: -111.785 bonds (distance) P-C4' energy: -122.435 flat angles C4'-P-C4' energy: -145.172 flat angles P-C4'-P energy: -102.398 tors. eta vs tors. theta energy: -206.182 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: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2424.833391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.833391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.833391 (E_RNA) where: Base-Base interactions energy: -1755.135 where: short stacking energy: -690.918 Base-Backbone interact. energy: -1.235 local terms energy: -668.462716 where: bonds (distance) C4'-P energy: -114.062 bonds (distance) P-C4' energy: -111.650 flat angles C4'-P-C4' energy: -140.529 flat angles P-C4'-P energy: -86.644 tors. eta vs tors. theta energy: -215.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2353.907531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.907531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.907531 (E_RNA) where: Base-Base interactions energy: -1728.055 where: short stacking energy: -684.608 Base-Backbone interact. energy: 1.839 local terms energy: -627.691451 where: bonds (distance) C4'-P energy: -91.085 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -142.828 flat angles P-C4'-P energy: -92.938 tors. eta vs tors. theta energy: -202.429 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: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2322.086247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.086247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.086247 (E_RNA) where: Base-Base interactions energy: -1695.210 where: short stacking energy: -658.864 Base-Backbone interact. energy: 0.028 local terms energy: -626.904219 where: bonds (distance) C4'-P energy: -106.625 bonds (distance) P-C4' energy: -103.956 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -82.912 tors. eta vs tors. theta energy: -197.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2147.955838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.955838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.955838 (E_RNA) where: Base-Base interactions energy: -1585.036 where: short stacking energy: -607.735 Base-Backbone interact. energy: -1.204 local terms energy: -561.715382 where: bonds (distance) C4'-P energy: -92.948 bonds (distance) P-C4' energy: -91.926 flat angles C4'-P-C4' energy: -130.368 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -168.467 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: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1981.537604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.537604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.537604 (E_RNA) where: Base-Base interactions energy: -1462.808 where: short stacking energy: -549.596 Base-Backbone interact. energy: 1.873 local terms energy: -520.602362 where: bonds (distance) C4'-P energy: -96.711 bonds (distance) P-C4' energy: -87.481 flat angles C4'-P-C4' energy: -99.229 flat angles P-C4'-P energy: -79.799 tors. eta vs tors. theta energy: -157.383 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: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1787.853371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.853371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.853371 (E_RNA) where: Base-Base interactions energy: -1272.278 where: short stacking energy: -517.618 Base-Backbone interact. energy: -0.687 local terms energy: -514.888195 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -107.658 flat angles C4'-P-C4' energy: -96.594 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -131.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2700.106624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.106624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.106624 (E_RNA) where: Base-Base interactions energy: -1963.464 where: short stacking energy: -778.251 Base-Backbone interact. energy: -1.213 local terms energy: -735.429127 where: bonds (distance) C4'-P energy: -127.800 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -148.024 flat angles P-C4'-P energy: -114.787 tors. eta vs tors. theta energy: -225.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2644.617690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.617690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.617690 (E_RNA) where: Base-Base interactions energy: -1931.805 where: short stacking energy: -736.029 Base-Backbone interact. energy: -1.078 local terms energy: -711.735293 where: bonds (distance) C4'-P energy: -117.398 bonds (distance) P-C4' energy: -131.116 flat angles C4'-P-C4' energy: -149.934 flat angles P-C4'-P energy: -94.760 tors. eta vs tors. theta energy: -218.527 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: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2565.214603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.214603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.214603 (E_RNA) where: Base-Base interactions energy: -1862.658 where: short stacking energy: -709.824 Base-Backbone interact. energy: -0.940 local terms energy: -701.616686 where: bonds (distance) C4'-P energy: -115.640 bonds (distance) P-C4' energy: -125.203 flat angles C4'-P-C4' energy: -143.815 flat angles P-C4'-P energy: -99.212 tors. eta vs tors. theta energy: -217.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2467.954971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.954971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.954971 (E_RNA) where: Base-Base interactions energy: -1784.335 where: short stacking energy: -698.279 Base-Backbone interact. energy: -0.037 local terms energy: -683.582506 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -112.789 flat angles C4'-P-C4' energy: -149.559 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -208.291 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: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2428.446427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.446427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.446427 (E_RNA) where: Base-Base interactions energy: -1756.899 where: short stacking energy: -668.076 Base-Backbone interact. energy: -1.440 local terms energy: -670.108095 where: bonds (distance) C4'-P energy: -114.012 bonds (distance) P-C4' energy: -132.037 flat angles C4'-P-C4' energy: -135.487 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -201.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2351.052681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.052681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.052681 (E_RNA) where: Base-Base interactions energy: -1709.503 where: short stacking energy: -650.458 Base-Backbone interact. energy: -0.874 local terms energy: -640.675865 where: bonds (distance) C4'-P energy: -103.348 bonds (distance) P-C4' energy: -125.114 flat angles C4'-P-C4' energy: -127.824 flat angles P-C4'-P energy: -87.755 tors. eta vs tors. theta energy: -196.634 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: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2328.623131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.623131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.623131 (E_RNA) where: Base-Base interactions energy: -1730.423 where: short stacking energy: -665.681 Base-Backbone interact. energy: -2.004 local terms energy: -596.195888 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -77.651 flat angles C4'-P-C4' energy: -130.068 flat angles P-C4'-P energy: -83.548 tors. eta vs tors. theta energy: -195.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -2193.647948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.647948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.647948 (E_RNA) where: Base-Base interactions energy: -1590.914 where: short stacking energy: -613.064 Base-Backbone interact. energy: -2.038 local terms energy: -600.695616 where: bonds (distance) C4'-P energy: -110.038 bonds (distance) P-C4' energy: -98.604 flat angles C4'-P-C4' energy: -128.341 flat angles P-C4'-P energy: -78.884 tors. eta vs tors. theta energy: -184.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1965.760604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.760604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.760604 (E_RNA) where: Base-Base interactions energy: -1449.954 where: short stacking energy: -583.650 Base-Backbone interact. energy: 0.326 local terms energy: -516.132454 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -120.826 flat angles P-C4'-P energy: -71.655 tors. eta vs tors. theta energy: -165.101 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: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1789.586334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.586334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.586334 (E_RNA) where: Base-Base interactions energy: -1259.947 where: short stacking energy: -500.805 Base-Backbone interact. energy: 1.819 local terms energy: -531.458018 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -101.382 flat angles C4'-P-C4' energy: -128.333 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -149.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2690.278344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.278344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.278344 (E_RNA) where: Base-Base interactions energy: -1949.416 where: short stacking energy: -761.291 Base-Backbone interact. energy: -2.830 local terms energy: -738.032817 where: bonds (distance) C4'-P energy: -116.543 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -153.256 flat angles P-C4'-P energy: -112.413 tors. eta vs tors. theta energy: -226.229 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: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2676.899992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.899992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.899992 (E_RNA) where: Base-Base interactions energy: -1959.039 where: short stacking energy: -761.430 Base-Backbone interact. energy: 1.045 local terms energy: -718.906336 where: bonds (distance) C4'-P energy: -130.159 bonds (distance) P-C4' energy: -125.409 flat angles C4'-P-C4' energy: -141.830 flat angles P-C4'-P energy: -103.012 tors. eta vs tors. theta energy: -218.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2570.480078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.480078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.480078 (E_RNA) where: Base-Base interactions energy: -1859.705 where: short stacking energy: -715.028 Base-Backbone interact. energy: -1.355 local terms energy: -709.419978 where: bonds (distance) C4'-P energy: -117.679 bonds (distance) P-C4' energy: -122.911 flat angles C4'-P-C4' energy: -152.346 flat angles P-C4'-P energy: -100.633 tors. eta vs tors. theta energy: -215.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2461.786760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.786760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.786760 (E_RNA) where: Base-Base interactions energy: -1806.883 where: short stacking energy: -693.497 Base-Backbone interact. energy: -1.961 local terms energy: -652.942858 where: bonds (distance) C4'-P energy: -100.285 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -135.962 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: -210.248 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: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2438.323867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.323867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.323867 (E_RNA) where: Base-Base interactions energy: -1795.085 where: short stacking energy: -687.256 Base-Backbone interact. energy: 4.607 local terms energy: -647.846039 where: bonds (distance) C4'-P energy: -107.790 bonds (distance) P-C4' energy: -109.316 flat angles C4'-P-C4' energy: -131.750 flat angles P-C4'-P energy: -86.834 tors. eta vs tors. theta energy: -212.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2365.630912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.630912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.630912 (E_RNA) where: Base-Base interactions energy: -1744.356 where: short stacking energy: -662.138 Base-Backbone interact. energy: -0.377 local terms energy: -620.898667 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -95.199 flat angles C4'-P-C4' energy: -134.371 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: -192.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2333.609453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.609453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.609453 (E_RNA) where: Base-Base interactions energy: -1717.038 where: short stacking energy: -660.558 Base-Backbone interact. energy: -1.058 local terms energy: -615.513782 where: bonds (distance) C4'-P energy: -87.550 bonds (distance) P-C4' energy: -108.214 flat angles C4'-P-C4' energy: -128.667 flat angles P-C4'-P energy: -93.281 tors. eta vs tors. theta energy: -197.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -2186.934291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.934291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.934291 (E_RNA) where: Base-Base interactions energy: -1592.012 where: short stacking energy: -619.496 Base-Backbone interact. energy: -1.675 local terms energy: -593.247869 where: bonds (distance) C4'-P energy: -115.343 bonds (distance) P-C4' energy: -81.636 flat angles C4'-P-C4' energy: -128.694 flat angles P-C4'-P energy: -79.320 tors. eta vs tors. theta energy: -188.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1980.083922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.083922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.083922 (E_RNA) where: Base-Base interactions energy: -1437.998 where: short stacking energy: -563.790 Base-Backbone interact. energy: -0.807 local terms energy: -541.278816 where: bonds (distance) C4'-P energy: -94.844 bonds (distance) P-C4' energy: -101.020 flat angles C4'-P-C4' energy: -108.399 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -167.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1766.602022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.602022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.602022 (E_RNA) where: Base-Base interactions energy: -1259.563 where: short stacking energy: -498.080 Base-Backbone interact. energy: -2.075 local terms energy: -504.964908 where: bonds (distance) C4'-P energy: -88.850 bonds (distance) P-C4' energy: -106.539 flat angles C4'-P-C4' energy: -109.458 flat angles P-C4'-P energy: -65.087 tors. eta vs tors. theta energy: -135.030 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: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2705.112630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.112630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.112630 (E_RNA) where: Base-Base interactions energy: -1972.598 where: short stacking energy: -758.528 Base-Backbone interact. energy: -0.761 local terms energy: -731.753958 where: bonds (distance) C4'-P energy: -121.420 bonds (distance) P-C4' energy: -122.886 flat angles C4'-P-C4' energy: -155.100 flat angles P-C4'-P energy: -106.400 tors. eta vs tors. theta energy: -225.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2603.947088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.947088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.947088 (E_RNA) where: Base-Base interactions energy: -1914.665 where: short stacking energy: -722.084 Base-Backbone interact. energy: 2.469 local terms energy: -691.751167 where: bonds (distance) C4'-P energy: -119.261 bonds (distance) P-C4' energy: -111.069 flat angles C4'-P-C4' energy: -145.891 flat angles P-C4'-P energy: -111.647 tors. eta vs tors. theta energy: -203.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2558.721637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.721637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.721637 (E_RNA) where: Base-Base interactions energy: -1879.884 where: short stacking energy: -722.067 Base-Backbone interact. energy: -2.245 local terms energy: -676.593166 where: bonds (distance) C4'-P energy: -118.319 bonds (distance) P-C4' energy: -106.681 flat angles C4'-P-C4' energy: -148.193 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -211.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2502.308377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.308377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.308377 (E_RNA) where: Base-Base interactions energy: -1834.432 where: short stacking energy: -710.467 Base-Backbone interact. energy: -0.796 local terms energy: -667.079958 where: bonds (distance) C4'-P energy: -120.512 bonds (distance) P-C4' energy: -104.180 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -94.939 tors. eta vs tors. theta energy: -204.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2417.889058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.889058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.889058 (E_RNA) where: Base-Base interactions energy: -1750.328 where: short stacking energy: -675.046 Base-Backbone interact. energy: 0.849 local terms energy: -668.409200 where: bonds (distance) C4'-P energy: -113.668 bonds (distance) P-C4' energy: -116.718 flat angles C4'-P-C4' energy: -133.428 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -206.855 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: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2376.846160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.846160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.846160 (E_RNA) where: Base-Base interactions energy: -1742.470 where: short stacking energy: -668.527 Base-Backbone interact. energy: 1.124 local terms energy: -635.500178 where: bonds (distance) C4'-P energy: -103.577 bonds (distance) P-C4' energy: -110.108 flat angles C4'-P-C4' energy: -136.840 flat angles P-C4'-P energy: -93.133 tors. eta vs tors. theta energy: -191.842 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: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2316.471639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.471639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.471639 (E_RNA) where: Base-Base interactions energy: -1670.064 where: short stacking energy: -647.232 Base-Backbone interact. energy: -0.012 local terms energy: -646.395577 where: bonds (distance) C4'-P energy: -112.612 bonds (distance) P-C4' energy: -116.225 flat angles C4'-P-C4' energy: -135.207 flat angles P-C4'-P energy: -84.921 tors. eta vs tors. theta energy: -197.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -2168.191602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.191602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.191602 (E_RNA) where: Base-Base interactions energy: -1582.825 where: short stacking energy: -613.116 Base-Backbone interact. energy: -0.351 local terms energy: -585.015368 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -78.028 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -82.594 tors. eta vs tors. theta energy: -185.135 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: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1964.244523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.244523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.244523 (E_RNA) where: Base-Base interactions energy: -1414.590 where: short stacking energy: -532.155 Base-Backbone interact. energy: 1.045 local terms energy: -550.699098 where: bonds (distance) C4'-P energy: -108.782 bonds (distance) P-C4' energy: -111.098 flat angles C4'-P-C4' energy: -105.082 flat angles P-C4'-P energy: -80.184 tors. eta vs tors. theta energy: -145.553 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: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1723.197925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.197925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.197925 (E_RNA) where: Base-Base interactions energy: -1215.397 where: short stacking energy: -511.156 Base-Backbone interact. energy: 9.473 local terms energy: -517.274595 where: bonds (distance) C4'-P energy: -94.477 bonds (distance) P-C4' energy: -98.398 flat angles C4'-P-C4' energy: -109.370 flat angles P-C4'-P energy: -79.478 tors. eta vs tors. theta energy: -135.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2715.091146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.091146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.091146 (E_RNA) where: Base-Base interactions energy: -1964.443 where: short stacking energy: -769.925 Base-Backbone interact. energy: 0.408 local terms energy: -751.056175 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -126.399 flat angles C4'-P-C4' energy: -153.273 flat angles P-C4'-P energy: -112.672 tors. eta vs tors. theta energy: -227.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2608.360647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.360647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.360647 (E_RNA) where: Base-Base interactions energy: -1896.046 where: short stacking energy: -722.901 Base-Backbone interact. energy: 2.882 local terms energy: -715.196655 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -154.541 flat angles P-C4'-P energy: -108.115 tors. eta vs tors. theta energy: -205.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2561.102462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.102462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.102462 (E_RNA) where: Base-Base interactions energy: -1871.236 where: short stacking energy: -725.533 Base-Backbone interact. energy: -3.162 local terms energy: -686.705034 where: bonds (distance) C4'-P energy: -114.533 bonds (distance) P-C4' energy: -127.218 flat angles C4'-P-C4' energy: -146.325 flat angles P-C4'-P energy: -89.774 tors. eta vs tors. theta energy: -208.855 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: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2487.107359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.107359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.107359 (E_RNA) where: Base-Base interactions energy: -1796.539 where: short stacking energy: -703.060 Base-Backbone interact. energy: -2.011 local terms energy: -688.557406 where: bonds (distance) C4'-P energy: -125.494 bonds (distance) P-C4' energy: -109.366 flat angles C4'-P-C4' energy: -140.725 flat angles P-C4'-P energy: -101.851 tors. eta vs tors. theta energy: -211.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2417.586559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.586559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.586559 (E_RNA) where: Base-Base interactions energy: -1759.340 where: short stacking energy: -681.352 Base-Backbone interact. energy: -0.689 local terms energy: -657.557887 where: bonds (distance) C4'-P energy: -105.195 bonds (distance) P-C4' energy: -108.400 flat angles C4'-P-C4' energy: -147.742 flat angles P-C4'-P energy: -95.740 tors. eta vs tors. theta energy: -200.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2350.423666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.423666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.423666 (E_RNA) where: Base-Base interactions energy: -1721.470 where: short stacking energy: -662.649 Base-Backbone interact. energy: 0.808 local terms energy: -629.761219 where: bonds (distance) C4'-P energy: -113.689 bonds (distance) P-C4' energy: -107.119 flat angles C4'-P-C4' energy: -123.026 flat angles P-C4'-P energy: -95.892 tors. eta vs tors. theta energy: -190.036 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2330.890802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.890802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.890802 (E_RNA) where: Base-Base interactions energy: -1696.883 where: short stacking energy: -662.022 Base-Backbone interact. energy: -0.746 local terms energy: -633.261338 where: bonds (distance) C4'-P energy: -117.943 bonds (distance) P-C4' energy: -99.121 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -203.440 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: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -2211.881920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.881920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.881920 (E_RNA) where: Base-Base interactions energy: -1582.079 where: short stacking energy: -598.541 Base-Backbone interact. energy: -0.917 local terms energy: -628.886484 where: bonds (distance) C4'-P energy: -113.481 bonds (distance) P-C4' energy: -92.660 flat angles C4'-P-C4' energy: -138.352 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -192.486 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: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -2013.837308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.837308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.837308 (E_RNA) where: Base-Base interactions energy: -1479.157 where: short stacking energy: -575.082 Base-Backbone interact. energy: 0.987 local terms energy: -535.667564 where: bonds (distance) C4'-P energy: -76.195 bonds (distance) P-C4' energy: -86.842 flat angles C4'-P-C4' energy: -115.770 flat angles P-C4'-P energy: -86.799 tors. eta vs tors. theta energy: -170.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1787.708363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.708363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.708363 (E_RNA) where: Base-Base interactions energy: -1285.712 where: short stacking energy: -514.164 Base-Backbone interact. energy: 0.987 local terms energy: -502.983462 where: bonds (distance) C4'-P energy: -96.245 bonds (distance) P-C4' energy: -84.278 flat angles C4'-P-C4' energy: -108.760 flat angles P-C4'-P energy: -78.168 tors. eta vs tors. theta energy: -135.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2711.080931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.080931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.080931 (E_RNA) where: Base-Base interactions energy: -1971.875 where: short stacking energy: -760.006 Base-Backbone interact. energy: -2.818 local terms energy: -736.387627 where: bonds (distance) C4'-P energy: -120.544 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -154.166 flat angles P-C4'-P energy: -105.181 tors. eta vs tors. theta energy: -226.523 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: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2610.892512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.892512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.892512 (E_RNA) where: Base-Base interactions energy: -1898.906 where: short stacking energy: -731.701 Base-Backbone interact. energy: -2.783 local terms energy: -709.203290 where: bonds (distance) C4'-P energy: -126.262 bonds (distance) P-C4' energy: -131.094 flat angles C4'-P-C4' energy: -144.677 flat angles P-C4'-P energy: -94.281 tors. eta vs tors. theta energy: -212.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2561.228481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.228481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.228481 (E_RNA) where: Base-Base interactions energy: -1852.598 where: short stacking energy: -709.021 Base-Backbone interact. energy: 0.541 local terms energy: -709.171948 where: bonds (distance) C4'-P energy: -126.320 bonds (distance) P-C4' energy: -114.704 flat angles C4'-P-C4' energy: -148.547 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -214.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2476.314527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.314527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.314527 (E_RNA) where: Base-Base interactions energy: -1789.636 where: short stacking energy: -705.272 Base-Backbone interact. energy: -0.207 local terms energy: -686.471679 where: bonds (distance) C4'-P energy: -113.684 bonds (distance) P-C4' energy: -115.699 flat angles C4'-P-C4' energy: -146.097 flat angles P-C4'-P energy: -103.394 tors. eta vs tors. theta energy: -207.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2413.207169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.207169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.207169 (E_RNA) where: Base-Base interactions energy: -1770.937 where: short stacking energy: -697.877 Base-Backbone interact. energy: -1.264 local terms energy: -641.006477 where: bonds (distance) C4'-P energy: -97.296 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -137.997 flat angles P-C4'-P energy: -80.465 tors. eta vs tors. theta energy: -203.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2333.142258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.142258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.142258 (E_RNA) where: Base-Base interactions energy: -1708.545 where: short stacking energy: -649.178 Base-Backbone interact. energy: 0.475 local terms energy: -625.072508 where: bonds (distance) C4'-P energy: -106.971 bonds (distance) P-C4' energy: -107.528 flat angles C4'-P-C4' energy: -129.164 flat angles P-C4'-P energy: -93.491 tors. eta vs tors. theta energy: -187.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2322.414588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.414588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.414588 (E_RNA) where: Base-Base interactions energy: -1687.482 where: short stacking energy: -649.695 Base-Backbone interact. energy: 2.935 local terms energy: -637.867678 where: bonds (distance) C4'-P energy: -120.007 bonds (distance) P-C4' energy: -115.017 flat angles C4'-P-C4' energy: -133.057 flat angles P-C4'-P energy: -70.521 tors. eta vs tors. theta energy: -199.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -2179.521778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.521778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.521778 (E_RNA) where: Base-Base interactions energy: -1586.925 where: short stacking energy: -621.234 Base-Backbone interact. energy: 0.297 local terms energy: -592.894530 where: bonds (distance) C4'-P energy: -100.042 bonds (distance) P-C4' energy: -88.360 flat angles C4'-P-C4' energy: -126.899 flat angles P-C4'-P energy: -94.233 tors. eta vs tors. theta energy: -183.361 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: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -2030.396164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.396164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.396164 (E_RNA) where: Base-Base interactions energy: -1472.219 where: short stacking energy: -575.207 Base-Backbone interact. energy: -0.644 local terms energy: -557.533963 where: bonds (distance) C4'-P energy: -93.580 bonds (distance) P-C4' energy: -100.795 flat angles C4'-P-C4' energy: -118.457 flat angles P-C4'-P energy: -76.550 tors. eta vs tors. theta energy: -168.152 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: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1696.834244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.834244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.834244 (E_RNA) where: Base-Base interactions energy: -1235.227 where: short stacking energy: -492.437 Base-Backbone interact. energy: -2.735 local terms energy: -458.871778 where: bonds (distance) C4'-P energy: -82.620 bonds (distance) P-C4' energy: -92.875 flat angles C4'-P-C4' energy: -104.920 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -126.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2707.674664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.674664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.674664 (E_RNA) where: Base-Base interactions energy: -1976.509 where: short stacking energy: -778.761 Base-Backbone interact. energy: -0.612 local terms energy: -730.554096 where: bonds (distance) C4'-P energy: -119.862 bonds (distance) P-C4' energy: -134.237 flat angles C4'-P-C4' energy: -143.574 flat angles P-C4'-P energy: -107.851 tors. eta vs tors. theta energy: -225.030 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: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2619.554631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.554631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.554631 (E_RNA) where: Base-Base interactions energy: -1923.295 where: short stacking energy: -743.797 Base-Backbone interact. energy: 1.175 local terms energy: -697.435283 where: bonds (distance) C4'-P energy: -101.579 bonds (distance) P-C4' energy: -121.873 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -104.838 tors. eta vs tors. theta energy: -216.222 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: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2569.061382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.061382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.061382 (E_RNA) where: Base-Base interactions energy: -1853.447 where: short stacking energy: -721.390 Base-Backbone interact. energy: -1.055 local terms energy: -714.559114 where: bonds (distance) C4'-P energy: -125.067 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -138.292 flat angles P-C4'-P energy: -106.219 tors. eta vs tors. theta energy: -214.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2471.832349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.832349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.832349 (E_RNA) where: Base-Base interactions energy: -1799.476 where: short stacking energy: -691.702 Base-Backbone interact. energy: -0.198 local terms energy: -672.157606 where: bonds (distance) C4'-P energy: -129.898 bonds (distance) P-C4' energy: -108.988 flat angles C4'-P-C4' energy: -136.982 flat angles P-C4'-P energy: -93.929 tors. eta vs tors. theta energy: -202.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2370.427389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.427389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.427389 (E_RNA) where: Base-Base interactions energy: -1720.406 where: short stacking energy: -667.339 Base-Backbone interact. energy: -1.355 local terms energy: -648.667096 where: bonds (distance) C4'-P energy: -115.602 bonds (distance) P-C4' energy: -111.865 flat angles C4'-P-C4' energy: -134.767 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -197.304 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: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2410.862783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.862783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.862783 (E_RNA) where: Base-Base interactions energy: -1753.391 where: short stacking energy: -679.711 Base-Backbone interact. energy: -1.639 local terms energy: -655.833293 where: bonds (distance) C4'-P energy: -102.507 bonds (distance) P-C4' energy: -106.532 flat angles C4'-P-C4' energy: -136.071 flat angles P-C4'-P energy: -103.623 tors. eta vs tors. theta energy: -207.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2313.160628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.160628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.160628 (E_RNA) where: Base-Base interactions energy: -1709.484 where: short stacking energy: -654.636 Base-Backbone interact. energy: 0.051 local terms energy: -603.727571 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -122.021 flat angles P-C4'-P energy: -83.749 tors. eta vs tors. theta energy: -184.012 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: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -2196.155081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.155081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.155081 (E_RNA) where: Base-Base interactions energy: -1572.745 where: short stacking energy: -612.831 Base-Backbone interact. energy: -0.053 local terms energy: -623.356469 where: bonds (distance) C4'-P energy: -120.483 bonds (distance) P-C4' energy: -103.170 flat angles C4'-P-C4' energy: -128.826 flat angles P-C4'-P energy: -82.468 tors. eta vs tors. theta energy: -188.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -2012.151669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.151669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.151669 (E_RNA) where: Base-Base interactions energy: -1476.885 where: short stacking energy: -555.924 Base-Backbone interact. energy: -0.484 local terms energy: -534.782506 where: bonds (distance) C4'-P energy: -98.056 bonds (distance) P-C4' energy: -99.023 flat angles C4'-P-C4' energy: -118.335 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: -160.949 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: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1674.928461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.928461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.928461 (E_RNA) where: Base-Base interactions energy: -1179.616 where: short stacking energy: -451.890 Base-Backbone interact. energy: -0.334 local terms energy: -494.978428 where: bonds (distance) C4'-P energy: -92.507 bonds (distance) P-C4' energy: -111.264 flat angles C4'-P-C4' energy: -107.946 flat angles P-C4'-P energy: -70.731 tors. eta vs tors. theta energy: -112.530 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: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2699.505540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.505540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.505540 (E_RNA) where: Base-Base interactions energy: -1971.162 where: short stacking energy: -768.165 Base-Backbone interact. energy: -1.075 local terms energy: -727.268617 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -118.399 flat angles C4'-P-C4' energy: -153.107 flat angles P-C4'-P energy: -102.401 tors. eta vs tors. theta energy: -228.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2638.630161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.630161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.630161 (E_RNA) where: Base-Base interactions energy: -1926.721 where: short stacking energy: -755.934 Base-Backbone interact. energy: 1.313 local terms energy: -713.222167 where: bonds (distance) C4'-P energy: -125.962 bonds (distance) P-C4' energy: -127.705 flat angles C4'-P-C4' energy: -145.660 flat angles P-C4'-P energy: -96.372 tors. eta vs tors. theta energy: -217.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2560.599760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.599760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.599760 (E_RNA) where: Base-Base interactions energy: -1852.826 where: short stacking energy: -712.892 Base-Backbone interact. energy: -1.340 local terms energy: -706.434042 where: bonds (distance) C4'-P energy: -110.194 bonds (distance) P-C4' energy: -134.146 flat angles C4'-P-C4' energy: -149.369 flat angles P-C4'-P energy: -97.411 tors. eta vs tors. theta energy: -215.314 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: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2447.372402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.372402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.372402 (E_RNA) where: Base-Base interactions energy: -1800.436 where: short stacking energy: -687.971 Base-Backbone interact. energy: 0.141 local terms energy: -647.077975 where: bonds (distance) C4'-P energy: -106.740 bonds (distance) P-C4' energy: -114.622 flat angles C4'-P-C4' energy: -135.651 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -192.306 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: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2476.569976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.569976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.569976 (E_RNA) where: Base-Base interactions energy: -1797.002 where: short stacking energy: -696.895 Base-Backbone interact. energy: -0.974 local terms energy: -678.594482 where: bonds (distance) C4'-P energy: -106.981 bonds (distance) P-C4' energy: -131.830 flat angles C4'-P-C4' energy: -131.775 flat angles P-C4'-P energy: -101.406 tors. eta vs tors. theta energy: -206.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2432.560932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.560932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.560932 (E_RNA) where: Base-Base interactions energy: -1769.504 where: short stacking energy: -679.447 Base-Backbone interact. energy: 2.702 local terms energy: -665.758847 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -103.903 flat angles C4'-P-C4' energy: -138.348 flat angles P-C4'-P energy: -101.449 tors. eta vs tors. theta energy: -215.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2325.835855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.835855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.835855 (E_RNA) where: Base-Base interactions energy: -1695.769 where: short stacking energy: -642.048 Base-Backbone interact. energy: -1.587 local terms energy: -628.479058 where: bonds (distance) C4'-P energy: -95.755 bonds (distance) P-C4' energy: -96.562 flat angles C4'-P-C4' energy: -137.324 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -202.071 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: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2203.251314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.251314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.251314 (E_RNA) where: Base-Base interactions energy: -1614.179 where: short stacking energy: -634.637 Base-Backbone interact. energy: 1.761 local terms energy: -590.833158 where: bonds (distance) C4'-P energy: -96.328 bonds (distance) P-C4' energy: -102.421 flat angles C4'-P-C4' energy: -128.074 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -191.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -2033.681148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.681148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.681148 (E_RNA) where: Base-Base interactions energy: -1469.377 where: short stacking energy: -572.819 Base-Backbone interact. energy: 0.771 local terms energy: -565.074747 where: bonds (distance) C4'-P energy: -97.850 bonds (distance) P-C4' energy: -93.391 flat angles C4'-P-C4' energy: -131.954 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: -169.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1726.621731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.621731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.621731 (E_RNA) where: Base-Base interactions energy: -1232.089 where: short stacking energy: -490.986 Base-Backbone interact. energy: 2.175 local terms energy: -496.707601 where: bonds (distance) C4'-P energy: -100.797 bonds (distance) P-C4' energy: -92.185 flat angles C4'-P-C4' energy: -100.546 flat angles P-C4'-P energy: -72.476 tors. eta vs tors. theta energy: -130.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2688.683407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.683407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.683407 (E_RNA) where: Base-Base interactions energy: -1964.709 where: short stacking energy: -766.913 Base-Backbone interact. energy: -0.562 local terms energy: -723.412867 where: bonds (distance) C4'-P energy: -122.064 bonds (distance) P-C4' energy: -125.524 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -101.366 tors. eta vs tors. theta energy: -229.287 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: 2, replica: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2623.797897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.797897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.797897 (E_RNA) where: Base-Base interactions energy: -1933.018 where: short stacking energy: -746.582 Base-Backbone interact. energy: -0.991 local terms energy: -689.789701 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -112.563 flat angles C4'-P-C4' energy: -152.806 flat angles P-C4'-P energy: -100.017 tors. eta vs tors. theta energy: -210.623 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: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2547.018385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.018385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.018385 (E_RNA) where: Base-Base interactions energy: -1860.056 where: short stacking energy: -719.945 Base-Backbone interact. energy: -4.158 local terms energy: -682.805153 where: bonds (distance) C4'-P energy: -105.954 bonds (distance) P-C4' energy: -109.641 flat angles C4'-P-C4' energy: -155.808 flat angles P-C4'-P energy: -99.629 tors. eta vs tors. theta energy: -211.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2434.333074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.333074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.333074 (E_RNA) where: Base-Base interactions energy: -1785.815 where: short stacking energy: -682.760 Base-Backbone interact. energy: -0.941 local terms energy: -647.577457 where: bonds (distance) C4'-P energy: -112.824 bonds (distance) P-C4' energy: -114.161 flat angles C4'-P-C4' energy: -131.484 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -196.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2449.007044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.007044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.007044 (E_RNA) where: Base-Base interactions energy: -1775.255 where: short stacking energy: -705.230 Base-Backbone interact. energy: 0.557 local terms energy: -674.308807 where: bonds (distance) C4'-P energy: -110.177 bonds (distance) P-C4' energy: -107.674 flat angles C4'-P-C4' energy: -143.130 flat angles P-C4'-P energy: -95.449 tors. eta vs tors. theta energy: -217.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2425.965627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.965627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.965627 (E_RNA) where: Base-Base interactions energy: -1798.242 where: short stacking energy: -689.705 Base-Backbone interact. energy: -1.748 local terms energy: -625.975594 where: bonds (distance) C4'-P energy: -91.261 bonds (distance) P-C4' energy: -81.364 flat angles C4'-P-C4' energy: -152.843 flat angles P-C4'-P energy: -87.197 tors. eta vs tors. theta energy: -213.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2337.196809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.196809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.196809 (E_RNA) where: Base-Base interactions energy: -1697.703 where: short stacking energy: -654.747 Base-Backbone interact. energy: 0.980 local terms energy: -640.474432 where: bonds (distance) C4'-P energy: -104.371 bonds (distance) P-C4' energy: -119.244 flat angles C4'-P-C4' energy: -120.735 flat angles P-C4'-P energy: -91.615 tors. eta vs tors. theta energy: -204.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -2221.028801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.028801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.028801 (E_RNA) where: Base-Base interactions energy: -1608.028 where: short stacking energy: -617.937 Base-Backbone interact. energy: -1.161 local terms energy: -611.840446 where: bonds (distance) C4'-P energy: -106.713 bonds (distance) P-C4' energy: -98.911 flat angles C4'-P-C4' energy: -124.806 flat angles P-C4'-P energy: -91.224 tors. eta vs tors. theta energy: -190.187 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: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -2007.676873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.676873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.676873 (E_RNA) where: Base-Base interactions energy: -1441.213 where: short stacking energy: -569.480 Base-Backbone interact. energy: 2.161 local terms energy: -568.624066 where: bonds (distance) C4'-P energy: -111.948 bonds (distance) P-C4' energy: -94.528 flat angles C4'-P-C4' energy: -122.627 flat angles P-C4'-P energy: -75.097 tors. eta vs tors. theta energy: -164.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1799.445542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.445542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.445542 (E_RNA) where: Base-Base interactions energy: -1287.571 where: short stacking energy: -519.762 Base-Backbone interact. energy: 2.898 local terms energy: -514.772444 where: bonds (distance) C4'-P energy: -95.589 bonds (distance) P-C4' energy: -103.763 flat angles C4'-P-C4' energy: -111.182 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: -142.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2700.124213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.124213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.124213 (E_RNA) where: Base-Base interactions energy: -1963.693 where: short stacking energy: -758.048 Base-Backbone interact. energy: -0.319 local terms energy: -736.112044 where: bonds (distance) C4'-P energy: -131.562 bonds (distance) P-C4' energy: -112.960 flat angles C4'-P-C4' energy: -157.438 flat angles P-C4'-P energy: -104.179 tors. eta vs tors. theta energy: -229.974 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: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2638.799738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.799738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.799738 (E_RNA) where: Base-Base interactions energy: -1933.512 where: short stacking energy: -753.806 Base-Backbone interact. energy: 1.266 local terms energy: -706.553251 where: bonds (distance) C4'-P energy: -124.705 bonds (distance) P-C4' energy: -109.216 flat angles C4'-P-C4' energy: -145.603 flat angles P-C4'-P energy: -102.186 tors. eta vs tors. theta energy: -224.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2548.361506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.361506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.361506 (E_RNA) where: Base-Base interactions energy: -1852.384 where: short stacking energy: -731.519 Base-Backbone interact. energy: -2.114 local terms energy: -693.863581 where: bonds (distance) C4'-P energy: -107.976 bonds (distance) P-C4' energy: -120.505 flat angles C4'-P-C4' energy: -144.116 flat angles P-C4'-P energy: -98.666 tors. eta vs tors. theta energy: -222.601 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: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2465.755788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.755788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.755788 (E_RNA) where: Base-Base interactions energy: -1791.197 where: short stacking energy: -713.961 Base-Backbone interact. energy: -0.546 local terms energy: -674.013087 where: bonds (distance) C4'-P energy: -114.640 bonds (distance) P-C4' energy: -104.972 flat angles C4'-P-C4' energy: -144.393 flat angles P-C4'-P energy: -101.205 tors. eta vs tors. theta energy: -208.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2408.256446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.256446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.256446 (E_RNA) where: Base-Base interactions energy: -1750.464 where: short stacking energy: -669.790 Base-Backbone interact. energy: -2.984 local terms energy: -654.808679 where: bonds (distance) C4'-P energy: -111.635 bonds (distance) P-C4' energy: -116.463 flat angles C4'-P-C4' energy: -130.515 flat angles P-C4'-P energy: -100.570 tors. eta vs tors. theta energy: -195.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2440.268411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.268411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.268411 (E_RNA) where: Base-Base interactions energy: -1818.948 where: short stacking energy: -696.588 Base-Backbone interact. energy: -0.160 local terms energy: -621.160531 where: bonds (distance) C4'-P energy: -93.913 bonds (distance) P-C4' energy: -102.570 flat angles C4'-P-C4' energy: -136.023 flat angles P-C4'-P energy: -81.044 tors. eta vs tors. theta energy: -207.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2338.587568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.587568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.587568 (E_RNA) where: Base-Base interactions energy: -1727.748 where: short stacking energy: -652.508 Base-Backbone interact. energy: 0.279 local terms energy: -611.118984 where: bonds (distance) C4'-P energy: -108.679 bonds (distance) P-C4' energy: -110.530 flat angles C4'-P-C4' energy: -129.369 flat angles P-C4'-P energy: -81.610 tors. eta vs tors. theta energy: -180.931 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: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -2199.308824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.308824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.308824 (E_RNA) where: Base-Base interactions energy: -1605.174 where: short stacking energy: -624.046 Base-Backbone interact. energy: 3.672 local terms energy: -597.806578 where: bonds (distance) C4'-P energy: -115.152 bonds (distance) P-C4' energy: -98.985 flat angles C4'-P-C4' energy: -115.394 flat angles P-C4'-P energy: -82.720 tors. eta vs tors. theta energy: -185.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -2022.942605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.942605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.942605 (E_RNA) where: Base-Base interactions energy: -1454.486 where: short stacking energy: -586.613 Base-Backbone interact. energy: -1.277 local terms energy: -567.179837 where: bonds (distance) C4'-P energy: -105.048 bonds (distance) P-C4' energy: -91.597 flat angles C4'-P-C4' energy: -120.276 flat angles P-C4'-P energy: -82.599 tors. eta vs tors. theta energy: -167.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1805.734752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.734752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.734752 (E_RNA) where: Base-Base interactions energy: -1296.463 where: short stacking energy: -511.794 Base-Backbone interact. energy: -0.110 local terms energy: -509.161982 where: bonds (distance) C4'-P energy: -90.371 bonds (distance) P-C4' energy: -96.449 flat angles C4'-P-C4' energy: -107.943 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -136.031 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: 302 Temperature: 0.900000 Total energy: -2717.303267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.303267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.303267 (E_RNA) where: Base-Base interactions energy: -1994.306 where: short stacking energy: -785.052 Base-Backbone interact. energy: -1.970 local terms energy: -721.027567 where: bonds (distance) C4'-P energy: -119.663 bonds (distance) P-C4' energy: -122.525 flat angles C4'-P-C4' energy: -151.930 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -229.072 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: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2632.441432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.441432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.441432 (E_RNA) where: Base-Base interactions energy: -1892.525 where: short stacking energy: -725.199 Base-Backbone interact. energy: -1.763 local terms energy: -738.153198 where: bonds (distance) C4'-P energy: -129.262 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -111.209 tors. eta vs tors. theta energy: -213.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2561.422838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.422838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.422838 (E_RNA) where: Base-Base interactions energy: -1876.325 where: short stacking energy: -740.449 Base-Backbone interact. energy: -0.952 local terms energy: -684.145812 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -123.183 flat angles C4'-P-C4' energy: -138.588 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -222.081 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: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2503.683775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.683775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.683775 (E_RNA) where: Base-Base interactions energy: -1825.894 where: short stacking energy: -705.772 Base-Backbone interact. energy: -1.057 local terms energy: -676.732600 where: bonds (distance) C4'-P energy: -119.290 bonds (distance) P-C4' energy: -118.931 flat angles C4'-P-C4' energy: -134.189 flat angles P-C4'-P energy: -94.632 tors. eta vs tors. theta energy: -209.691 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: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2451.965936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.965936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.965936 (E_RNA) where: Base-Base interactions energy: -1790.957 where: short stacking energy: -675.578 Base-Backbone interact. energy: 1.188 local terms energy: -662.197453 where: bonds (distance) C4'-P energy: -101.462 bonds (distance) P-C4' energy: -109.558 flat angles C4'-P-C4' energy: -139.314 flat angles P-C4'-P energy: -106.365 tors. eta vs tors. theta energy: -205.499 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: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2362.297223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.297223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.297223 (E_RNA) where: Base-Base interactions energy: -1725.071 where: short stacking energy: -645.200 Base-Backbone interact. energy: -1.532 local terms energy: -635.695017 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -111.487 flat angles C4'-P-C4' energy: -134.194 flat angles P-C4'-P energy: -84.552 tors. eta vs tors. theta energy: -195.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2333.312341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.312341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.312341 (E_RNA) where: Base-Base interactions energy: -1714.132 where: short stacking energy: -660.242 Base-Backbone interact. energy: 1.453 local terms energy: -620.634143 where: bonds (distance) C4'-P energy: -103.388 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -116.474 flat angles P-C4'-P energy: -92.663 tors. eta vs tors. theta energy: -195.636 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: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -2244.085686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.085686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.085686 (E_RNA) where: Base-Base interactions energy: -1636.219 where: short stacking energy: -613.365 Base-Backbone interact. energy: 1.718 local terms energy: -609.584358 where: bonds (distance) C4'-P energy: -100.004 bonds (distance) P-C4' energy: -106.615 flat angles C4'-P-C4' energy: -136.930 flat angles P-C4'-P energy: -95.972 tors. eta vs tors. theta energy: -170.063 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: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1986.715030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.715030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.715030 (E_RNA) where: Base-Base interactions energy: -1436.454 where: short stacking energy: -555.170 Base-Backbone interact. energy: -0.767 local terms energy: -549.494644 where: bonds (distance) C4'-P energy: -95.324 bonds (distance) P-C4' energy: -102.638 flat angles C4'-P-C4' energy: -114.993 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -158.709 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: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1786.619686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.619686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.619686 (E_RNA) where: Base-Base interactions energy: -1285.222 where: short stacking energy: -512.618 Base-Backbone interact. energy: 0.869 local terms energy: -502.266742 where: bonds (distance) C4'-P energy: -76.140 bonds (distance) P-C4' energy: -103.104 flat angles C4'-P-C4' energy: -110.158 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -132.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2741.035728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.035728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.035728 (E_RNA) where: Base-Base interactions energy: -2011.004 where: short stacking energy: -788.720 Base-Backbone interact. energy: -0.428 local terms energy: -729.603368 where: bonds (distance) C4'-P energy: -112.608 bonds (distance) P-C4' energy: -125.409 flat angles C4'-P-C4' energy: -155.190 flat angles P-C4'-P energy: -101.982 tors. eta vs tors. theta energy: -234.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2640.812765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.812765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.812765 (E_RNA) where: Base-Base interactions energy: -1943.015 where: short stacking energy: -751.184 Base-Backbone interact. energy: 2.678 local terms energy: -700.475483 where: bonds (distance) C4'-P energy: -111.688 bonds (distance) P-C4' energy: -127.440 flat angles C4'-P-C4' energy: -145.395 flat angles P-C4'-P energy: -105.323 tors. eta vs tors. theta energy: -210.630 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: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2513.171075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.171075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.171075 (E_RNA) where: Base-Base interactions energy: -1829.277 where: short stacking energy: -714.129 Base-Backbone interact. energy: 0.404 local terms energy: -684.297287 where: bonds (distance) C4'-P energy: -111.533 bonds (distance) P-C4' energy: -111.784 flat angles C4'-P-C4' energy: -147.012 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -215.172 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: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2502.025940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.025940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.025940 (E_RNA) where: Base-Base interactions energy: -1807.446 where: short stacking energy: -710.867 Base-Backbone interact. energy: -0.828 local terms energy: -693.751902 where: bonds (distance) C4'-P energy: -108.138 bonds (distance) P-C4' energy: -119.191 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -105.620 tors. eta vs tors. theta energy: -212.518 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: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2453.451167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.451167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.451167 (E_RNA) where: Base-Base interactions energy: -1780.002 where: short stacking energy: -684.146 Base-Backbone interact. energy: -1.295 local terms energy: -672.154089 where: bonds (distance) C4'-P energy: -109.286 bonds (distance) P-C4' energy: -120.822 flat angles C4'-P-C4' energy: -141.906 flat angles P-C4'-P energy: -88.438 tors. eta vs tors. theta energy: -211.702 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: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2376.804393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.804393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.804393 (E_RNA) where: Base-Base interactions energy: -1759.563 where: short stacking energy: -665.109 Base-Backbone interact. energy: -1.700 local terms energy: -615.541038 where: bonds (distance) C4'-P energy: -98.227 bonds (distance) P-C4' energy: -103.736 flat angles C4'-P-C4' energy: -130.888 flat angles P-C4'-P energy: -75.108 tors. eta vs tors. theta energy: -207.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2315.396757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.396757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.396757 (E_RNA) where: Base-Base interactions energy: -1709.843 where: short stacking energy: -660.646 Base-Backbone interact. energy: 0.006 local terms energy: -605.560045 where: bonds (distance) C4'-P energy: -109.782 bonds (distance) P-C4' energy: -97.931 flat angles C4'-P-C4' energy: -130.365 flat angles P-C4'-P energy: -74.305 tors. eta vs tors. theta energy: -193.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -2222.374034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.374034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.374034 (E_RNA) where: Base-Base interactions energy: -1622.072 where: short stacking energy: -627.521 Base-Backbone interact. energy: 0.771 local terms energy: -601.072246 where: bonds (distance) C4'-P energy: -103.614 bonds (distance) P-C4' energy: -97.056 flat angles C4'-P-C4' energy: -122.295 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -185.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -2014.080022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.080022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.080022 (E_RNA) where: Base-Base interactions energy: -1456.412 where: short stacking energy: -581.406 Base-Backbone interact. energy: 0.925 local terms energy: -558.593771 where: bonds (distance) C4'-P energy: -92.923 bonds (distance) P-C4' energy: -99.337 flat angles C4'-P-C4' energy: -126.748 flat angles P-C4'-P energy: -63.291 tors. eta vs tors. theta energy: -176.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1835.042944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.042944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.042944 (E_RNA) where: Base-Base interactions energy: -1345.575 where: short stacking energy: -528.500 Base-Backbone interact. energy: -1.162 local terms energy: -488.306525 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -75.230 flat angles C4'-P-C4' energy: -114.040 flat angles P-C4'-P energy: -59.469 tors. eta vs tors. theta energy: -151.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2707.574522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.574522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.574522 (E_RNA) where: Base-Base interactions energy: -1983.198 where: short stacking energy: -779.294 Base-Backbone interact. energy: -2.149 local terms energy: -722.228212 where: bonds (distance) C4'-P energy: -128.004 bonds (distance) P-C4' energy: -118.102 flat angles C4'-P-C4' energy: -152.884 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -229.699 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: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2652.025002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.025002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.025002 (E_RNA) where: Base-Base interactions energy: -1940.121 where: short stacking energy: -755.954 Base-Backbone interact. energy: -1.822 local terms energy: -710.082193 where: bonds (distance) C4'-P energy: -125.084 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -153.988 flat angles P-C4'-P energy: -91.692 tors. eta vs tors. theta energy: -219.668 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: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2538.970812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.970812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.970812 (E_RNA) where: Base-Base interactions energy: -1843.805 where: short stacking energy: -733.074 Base-Backbone interact. energy: -0.141 local terms energy: -695.024218 where: bonds (distance) C4'-P energy: -120.769 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -144.622 flat angles P-C4'-P energy: -96.456 tors. eta vs tors. theta energy: -216.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2513.741730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.741730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.741730 (E_RNA) where: Base-Base interactions energy: -1837.752 where: short stacking energy: -721.859 Base-Backbone interact. energy: -0.512 local terms energy: -675.478463 where: bonds (distance) C4'-P energy: -107.628 bonds (distance) P-C4' energy: -117.048 flat angles C4'-P-C4' energy: -145.607 flat angles P-C4'-P energy: -96.506 tors. eta vs tors. theta energy: -208.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2428.328023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.328023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.328023 (E_RNA) where: Base-Base interactions energy: -1772.650 where: short stacking energy: -679.751 Base-Backbone interact. energy: 3.733 local terms energy: -659.411289 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -115.420 flat angles C4'-P-C4' energy: -134.780 flat angles P-C4'-P energy: -83.217 tors. eta vs tors. theta energy: -208.957 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: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2392.375306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.375306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.375306 (E_RNA) where: Base-Base interactions energy: -1758.646 where: short stacking energy: -680.295 Base-Backbone interact. energy: -1.271 local terms energy: -632.458079 where: bonds (distance) C4'-P energy: -102.870 bonds (distance) P-C4' energy: -94.679 flat angles C4'-P-C4' energy: -128.558 flat angles P-C4'-P energy: -95.965 tors. eta vs tors. theta energy: -210.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2337.264780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.264780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.264780 (E_RNA) where: Base-Base interactions energy: -1734.867 where: short stacking energy: -657.468 Base-Backbone interact. energy: -3.895 local terms energy: -598.502593 where: bonds (distance) C4'-P energy: -97.311 bonds (distance) P-C4' energy: -94.473 flat angles C4'-P-C4' energy: -128.423 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -196.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -2217.330480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.330480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.330480 (E_RNA) where: Base-Base interactions energy: -1630.634 where: short stacking energy: -629.573 Base-Backbone interact. energy: -0.989 local terms energy: -585.706907 where: bonds (distance) C4'-P energy: -90.741 bonds (distance) P-C4' energy: -101.795 flat angles C4'-P-C4' energy: -128.725 flat angles P-C4'-P energy: -75.472 tors. eta vs tors. theta energy: -188.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -2038.188133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.188133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.188133 (E_RNA) where: Base-Base interactions energy: -1506.255 where: short stacking energy: -588.318 Base-Backbone interact. energy: -1.601 local terms energy: -530.331822 where: bonds (distance) C4'-P energy: -98.026 bonds (distance) P-C4' energy: -83.999 flat angles C4'-P-C4' energy: -117.541 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -153.697 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: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1822.052916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.052916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.052916 (E_RNA) where: Base-Base interactions energy: -1296.129 where: short stacking energy: -502.423 Base-Backbone interact. energy: 0.123 local terms energy: -526.046889 where: bonds (distance) C4'-P energy: -103.979 bonds (distance) P-C4' energy: -96.931 flat angles C4'-P-C4' energy: -117.065 flat angles P-C4'-P energy: -68.644 tors. eta vs tors. theta energy: -139.427 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: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2712.420947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.420947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.420947 (E_RNA) where: Base-Base interactions energy: -1982.666 where: short stacking energy: -768.429 Base-Backbone interact. energy: -0.798 local terms energy: -728.957498 where: bonds (distance) C4'-P energy: -109.866 bonds (distance) P-C4' energy: -130.471 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -110.592 tors. eta vs tors. theta energy: -226.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2617.791378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.791378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.791378 (E_RNA) where: Base-Base interactions energy: -1929.543 where: short stacking energy: -735.243 Base-Backbone interact. energy: 2.896 local terms energy: -691.144169 where: bonds (distance) C4'-P energy: -127.671 bonds (distance) P-C4' energy: -102.450 flat angles C4'-P-C4' energy: -149.198 flat angles P-C4'-P energy: -98.445 tors. eta vs tors. theta energy: -213.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2532.273340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.273340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.273340 (E_RNA) where: Base-Base interactions energy: -1830.343 where: short stacking energy: -725.729 Base-Backbone interact. energy: -2.275 local terms energy: -699.654723 where: bonds (distance) C4'-P energy: -113.214 bonds (distance) P-C4' energy: -113.360 flat angles C4'-P-C4' energy: -148.603 flat angles P-C4'-P energy: -109.290 tors. eta vs tors. theta energy: -215.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2498.393106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.393106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.393106 (E_RNA) where: Base-Base interactions energy: -1802.393 where: short stacking energy: -675.653 Base-Backbone interact. energy: -0.821 local terms energy: -695.178730 where: bonds (distance) C4'-P energy: -121.377 bonds (distance) P-C4' energy: -120.693 flat angles C4'-P-C4' energy: -142.335 flat angles P-C4'-P energy: -109.194 tors. eta vs tors. theta energy: -201.580 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: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2410.943209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.943209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.943209 (E_RNA) where: Base-Base interactions energy: -1751.467 where: short stacking energy: -678.558 Base-Backbone interact. energy: -0.010 local terms energy: -659.465816 where: bonds (distance) C4'-P energy: -100.254 bonds (distance) P-C4' energy: -119.101 flat angles C4'-P-C4' energy: -139.710 flat angles P-C4'-P energy: -98.537 tors. eta vs tors. theta energy: -201.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2434.704319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.704319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.704319 (E_RNA) where: Base-Base interactions energy: -1779.366 where: short stacking energy: -696.286 Base-Backbone interact. energy: -1.096 local terms energy: -654.242126 where: bonds (distance) C4'-P energy: -97.952 bonds (distance) P-C4' energy: -107.596 flat angles C4'-P-C4' energy: -135.356 flat angles P-C4'-P energy: -103.346 tors. eta vs tors. theta energy: -209.993 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: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2311.144288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.144288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.144288 (E_RNA) where: Base-Base interactions energy: -1684.337 where: short stacking energy: -646.206 Base-Backbone interact. energy: -2.177 local terms energy: -624.630015 where: bonds (distance) C4'-P energy: -108.465 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -135.016 flat angles P-C4'-P energy: -90.587 tors. eta vs tors. theta energy: -192.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -2163.526025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.526025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.526025 (E_RNA) where: Base-Base interactions energy: -1573.405 where: short stacking energy: -612.948 Base-Backbone interact. energy: -0.342 local terms energy: -589.779691 where: bonds (distance) C4'-P energy: -96.915 bonds (distance) P-C4' energy: -99.807 flat angles C4'-P-C4' energy: -126.991 flat angles P-C4'-P energy: -79.576 tors. eta vs tors. theta energy: -186.491 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: 2 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -2038.505450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.505450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.505450 (E_RNA) where: Base-Base interactions energy: -1496.755 where: short stacking energy: -570.511 Base-Backbone interact. energy: 0.653 local terms energy: -542.403222 where: bonds (distance) C4'-P energy: -93.345 bonds (distance) P-C4' energy: -88.611 flat angles C4'-P-C4' energy: -115.693 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -154.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1806.733011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.733011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.733011 (E_RNA) where: Base-Base interactions energy: -1298.055 where: short stacking energy: -510.696 Base-Backbone interact. energy: 2.462 local terms energy: -511.140366 where: bonds (distance) C4'-P energy: -109.153 bonds (distance) P-C4' energy: -74.373 flat angles C4'-P-C4' energy: -112.553 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -146.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2697.813096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.813096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.813096 (E_RNA) where: Base-Base interactions energy: -1958.134 where: short stacking energy: -754.310 Base-Backbone interact. energy: -0.435 local terms energy: -739.244618 where: bonds (distance) C4'-P energy: -131.180 bonds (distance) P-C4' energy: -121.610 flat angles C4'-P-C4' energy: -146.302 flat angles P-C4'-P energy: -114.172 tors. eta vs tors. theta energy: -225.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2666.782803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.782803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.782803 (E_RNA) where: Base-Base interactions energy: -1952.837 where: short stacking energy: -753.039 Base-Backbone interact. energy: 1.531 local terms energy: -715.476901 where: bonds (distance) C4'-P energy: -117.433 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -150.141 flat angles P-C4'-P energy: -109.770 tors. eta vs tors. theta energy: -212.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2527.564435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.564435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.564435 (E_RNA) where: Base-Base interactions energy: -1849.960 where: short stacking energy: -740.560 Base-Backbone interact. energy: -1.222 local terms energy: -676.382865 where: bonds (distance) C4'-P energy: -116.560 bonds (distance) P-C4' energy: -105.392 flat angles C4'-P-C4' energy: -149.840 flat angles P-C4'-P energy: -90.094 tors. eta vs tors. theta energy: -214.497 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: 306 Temperature: 1.050000 Total energy: -2521.498084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.498084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.498084 (E_RNA) where: Base-Base interactions energy: -1836.431 where: short stacking energy: -689.869 Base-Backbone interact. energy: -1.306 local terms energy: -683.761575 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -110.704 flat angles C4'-P-C4' energy: -149.077 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -203.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2479.889904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.889904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.889904 (E_RNA) where: Base-Base interactions energy: -1813.721 where: short stacking energy: -702.965 Base-Backbone interact. energy: -0.569 local terms energy: -665.599797 where: bonds (distance) C4'-P energy: -106.155 bonds (distance) P-C4' energy: -110.235 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -90.062 tors. eta vs tors. theta energy: -212.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2384.124498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.124498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.124498 (E_RNA) where: Base-Base interactions energy: -1753.644 where: short stacking energy: -683.991 Base-Backbone interact. energy: 2.232 local terms energy: -632.712438 where: bonds (distance) C4'-P energy: -96.893 bonds (distance) P-C4' energy: -103.247 flat angles C4'-P-C4' energy: -141.759 flat angles P-C4'-P energy: -96.764 tors. eta vs tors. theta energy: -194.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2290.497179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.497179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.497179 (E_RNA) where: Base-Base interactions energy: -1701.843 where: short stacking energy: -647.034 Base-Backbone interact. energy: 0.009 local terms energy: -588.663318 where: bonds (distance) C4'-P energy: -96.773 bonds (distance) P-C4' energy: -104.268 flat angles C4'-P-C4' energy: -123.815 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -195.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -2184.003063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.003063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.003063 (E_RNA) where: Base-Base interactions energy: -1599.230 where: short stacking energy: -619.146 Base-Backbone interact. energy: -0.489 local terms energy: -584.284234 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -93.281 flat angles C4'-P-C4' energy: -128.152 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -179.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -2049.274223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.274223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.274223 (E_RNA) where: Base-Base interactions energy: -1535.831 where: short stacking energy: -599.869 Base-Backbone interact. energy: -0.384 local terms energy: -513.059271 where: bonds (distance) C4'-P energy: -95.356 bonds (distance) P-C4' energy: -80.280 flat angles C4'-P-C4' energy: -113.145 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -173.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1803.285961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.285961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.285961 (E_RNA) where: Base-Base interactions energy: -1289.402 where: short stacking energy: -514.307 Base-Backbone interact. energy: 3.781 local terms energy: -517.664521 where: bonds (distance) C4'-P energy: -90.341 bonds (distance) P-C4' energy: -103.564 flat angles C4'-P-C4' energy: -116.795 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -139.907 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: 307 Temperature: 0.900000 Total energy: -2713.035051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.035051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.035051 (E_RNA) where: Base-Base interactions energy: -1965.871 where: short stacking energy: -763.135 Base-Backbone interact. energy: -1.872 local terms energy: -745.292917 where: bonds (distance) C4'-P energy: -137.235 bonds (distance) P-C4' energy: -120.749 flat angles C4'-P-C4' energy: -149.118 flat angles P-C4'-P energy: -111.990 tors. eta vs tors. theta energy: -226.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2637.725149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.725149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.725149 (E_RNA) where: Base-Base interactions energy: -1939.485 where: short stacking energy: -745.682 Base-Backbone interact. energy: 0.506 local terms energy: -698.745800 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -110.609 flat angles C4'-P-C4' energy: -145.095 flat angles P-C4'-P energy: -97.169 tors. eta vs tors. theta energy: -217.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2533.581144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.581144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.581144 (E_RNA) where: Base-Base interactions energy: -1821.582 where: short stacking energy: -726.643 Base-Backbone interact. energy: 0.528 local terms energy: -712.527302 where: bonds (distance) C4'-P energy: -114.507 bonds (distance) P-C4' energy: -125.958 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -104.904 tors. eta vs tors. theta energy: -216.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2504.723161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.723161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.723161 (E_RNA) where: Base-Base interactions energy: -1826.454 where: short stacking energy: -699.927 Base-Backbone interact. energy: -1.415 local terms energy: -676.854139 where: bonds (distance) C4'-P energy: -103.831 bonds (distance) P-C4' energy: -109.206 flat angles C4'-P-C4' energy: -149.209 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -218.875 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: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2479.274856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.274856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.274856 (E_RNA) where: Base-Base interactions energy: -1814.872 where: short stacking energy: -696.413 Base-Backbone interact. energy: -1.244 local terms energy: -663.158868 where: bonds (distance) C4'-P energy: -115.580 bonds (distance) P-C4' energy: -102.233 flat angles C4'-P-C4' energy: -139.670 flat angles P-C4'-P energy: -94.697 tors. eta vs tors. theta energy: -210.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2397.905362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.905362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.905362 (E_RNA) where: Base-Base interactions energy: -1768.386 where: short stacking energy: -688.929 Base-Backbone interact. energy: -2.271 local terms energy: -627.248961 where: bonds (distance) C4'-P energy: -105.675 bonds (distance) P-C4' energy: -93.003 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -89.546 tors. eta vs tors. theta energy: -200.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2284.832515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.832515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.832515 (E_RNA) where: Base-Base interactions energy: -1695.773 where: short stacking energy: -646.930 Base-Backbone interact. energy: 1.803 local terms energy: -590.861998 where: bonds (distance) C4'-P energy: -101.130 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -138.492 flat angles P-C4'-P energy: -65.864 tors. eta vs tors. theta energy: -188.890 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: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -2209.390398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.390398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.390398 (E_RNA) where: Base-Base interactions energy: -1621.842 where: short stacking energy: -637.772 Base-Backbone interact. energy: -0.541 local terms energy: -587.007131 where: bonds (distance) C4'-P energy: -89.553 bonds (distance) P-C4' energy: -109.678 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -80.285 tors. eta vs tors. theta energy: -180.639 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: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -2001.046170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.046170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.046170 (E_RNA) where: Base-Base interactions energy: -1478.372 where: short stacking energy: -572.138 Base-Backbone interact. energy: 0.334 local terms energy: -523.007829 where: bonds (distance) C4'-P energy: -94.448 bonds (distance) P-C4' energy: -90.809 flat angles C4'-P-C4' energy: -91.938 flat angles P-C4'-P energy: -81.005 tors. eta vs tors. theta energy: -164.808 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: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1769.198052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.198052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.198052 (E_RNA) where: Base-Base interactions energy: -1269.358 where: short stacking energy: -507.054 Base-Backbone interact. energy: 5.509 local terms energy: -505.349052 where: bonds (distance) C4'-P energy: -86.240 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -114.803 flat angles P-C4'-P energy: -92.380 tors. eta vs tors. theta energy: -136.741 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: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2705.909772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.909772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.909772 (E_RNA) where: Base-Base interactions energy: -1974.871 where: short stacking energy: -776.001 Base-Backbone interact. energy: -2.151 local terms energy: -728.887807 where: bonds (distance) C4'-P energy: -119.462 bonds (distance) P-C4' energy: -131.495 flat angles C4'-P-C4' energy: -147.097 flat angles P-C4'-P energy: -104.073 tors. eta vs tors. theta energy: -226.761 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: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2621.016409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.016409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.016409 (E_RNA) where: Base-Base interactions energy: -1923.101 where: short stacking energy: -742.829 Base-Backbone interact. energy: 2.530 local terms energy: -700.445458 where: bonds (distance) C4'-P energy: -111.518 bonds (distance) P-C4' energy: -121.227 flat angles C4'-P-C4' energy: -151.308 flat angles P-C4'-P energy: -108.351 tors. eta vs tors. theta energy: -208.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2551.106967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.106967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.106967 (E_RNA) where: Base-Base interactions energy: -1836.129 where: short stacking energy: -725.627 Base-Backbone interact. energy: -1.793 local terms energy: -713.184508 where: bonds (distance) C4'-P energy: -133.778 bonds (distance) P-C4' energy: -113.014 flat angles C4'-P-C4' energy: -148.019 flat angles P-C4'-P energy: -95.399 tors. eta vs tors. theta energy: -222.975 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: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2494.130277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.130277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.130277 (E_RNA) where: Base-Base interactions energy: -1815.396 where: short stacking energy: -712.871 Base-Backbone interact. energy: -0.034 local terms energy: -678.700408 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -126.914 flat angles C4'-P-C4' energy: -133.574 flat angles P-C4'-P energy: -90.486 tors. eta vs tors. theta energy: -208.370 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: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2480.000430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.000430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.000430 (E_RNA) where: Base-Base interactions energy: -1822.811 where: short stacking energy: -716.447 Base-Backbone interact. energy: -1.139 local terms energy: -656.051023 where: bonds (distance) C4'-P energy: -105.636 bonds (distance) P-C4' energy: -109.765 flat angles C4'-P-C4' energy: -135.445 flat angles P-C4'-P energy: -93.231 tors. eta vs tors. theta energy: -211.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2368.909210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.909210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.909210 (E_RNA) where: Base-Base interactions energy: -1753.187 where: short stacking energy: -696.595 Base-Backbone interact. energy: -1.928 local terms energy: -613.793364 where: bonds (distance) C4'-P energy: -95.899 bonds (distance) P-C4' energy: -86.150 flat angles C4'-P-C4' energy: -133.109 flat angles P-C4'-P energy: -90.079 tors. eta vs tors. theta energy: -208.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2304.970613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.970613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.970613 (E_RNA) where: Base-Base interactions energy: -1673.864 where: short stacking energy: -643.491 Base-Backbone interact. energy: -2.274 local terms energy: -628.832509 where: bonds (distance) C4'-P energy: -102.358 bonds (distance) P-C4' energy: -114.027 flat angles C4'-P-C4' energy: -130.612 flat angles P-C4'-P energy: -94.819 tors. eta vs tors. theta energy: -187.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -2196.787269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.787269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.787269 (E_RNA) where: Base-Base interactions energy: -1577.839 where: short stacking energy: -622.583 Base-Backbone interact. energy: -2.213 local terms energy: -616.735562 where: bonds (distance) C4'-P energy: -105.340 bonds (distance) P-C4' energy: -104.911 flat angles C4'-P-C4' energy: -120.829 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -189.092 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: 9, replica: 2 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1999.086095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.086095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.086095 (E_RNA) where: Base-Base interactions energy: -1483.158 where: short stacking energy: -581.649 Base-Backbone interact. energy: 5.696 local terms energy: -521.624277 where: bonds (distance) C4'-P energy: -71.640 bonds (distance) P-C4' energy: -110.072 flat angles C4'-P-C4' energy: -99.547 flat angles P-C4'-P energy: -71.084 tors. eta vs tors. theta energy: -169.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1764.574940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.574940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.574940 (E_RNA) where: Base-Base interactions energy: -1248.140 where: short stacking energy: -480.283 Base-Backbone interact. energy: -0.606 local terms energy: -515.829114 where: bonds (distance) C4'-P energy: -89.282 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -121.075 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -139.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2705.083585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.083585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.083585 (E_RNA) where: Base-Base interactions energy: -1962.188 where: short stacking energy: -766.820 Base-Backbone interact. energy: 1.021 local terms energy: -743.916133 where: bonds (distance) C4'-P energy: -126.861 bonds (distance) P-C4' energy: -126.771 flat angles C4'-P-C4' energy: -151.040 flat angles P-C4'-P energy: -111.049 tors. eta vs tors. theta energy: -228.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2622.031316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.031316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.031316 (E_RNA) where: Base-Base interactions energy: -1920.893 where: short stacking energy: -726.816 Base-Backbone interact. energy: 0.258 local terms energy: -701.396629 where: bonds (distance) C4'-P energy: -117.503 bonds (distance) P-C4' energy: -120.427 flat angles C4'-P-C4' energy: -149.052 flat angles P-C4'-P energy: -103.900 tors. eta vs tors. theta energy: -210.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2541.621150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.621150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.621150 (E_RNA) where: Base-Base interactions energy: -1843.170 where: short stacking energy: -722.305 Base-Backbone interact. energy: -0.746 local terms energy: -697.704560 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -120.621 flat angles C4'-P-C4' energy: -150.011 flat angles P-C4'-P energy: -94.628 tors. eta vs tors. theta energy: -212.918 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: 309 Temperature: 1.050000 Total energy: -2504.993389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.993389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.993389 (E_RNA) where: Base-Base interactions energy: -1821.835 where: short stacking energy: -699.139 Base-Backbone interact. energy: 2.001 local terms energy: -685.159984 where: bonds (distance) C4'-P energy: -116.349 bonds (distance) P-C4' energy: -120.630 flat angles C4'-P-C4' energy: -133.364 flat angles P-C4'-P energy: -99.853 tors. eta vs tors. theta energy: -214.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2399.730199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.730199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.730199 (E_RNA) where: Base-Base interactions energy: -1746.188 where: short stacking energy: -690.500 Base-Backbone interact. energy: -0.253 local terms energy: -653.289162 where: bonds (distance) C4'-P energy: -108.887 bonds (distance) P-C4' energy: -106.787 flat angles C4'-P-C4' energy: -148.475 flat angles P-C4'-P energy: -89.881 tors. eta vs tors. theta energy: -199.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2376.606339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.606339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.606339 (E_RNA) where: Base-Base interactions energy: -1731.462 where: short stacking energy: -671.012 Base-Backbone interact. energy: 0.688 local terms energy: -645.832504 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -108.026 flat angles C4'-P-C4' energy: -134.982 flat angles P-C4'-P energy: -98.187 tors. eta vs tors. theta energy: -201.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2261.414449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.414449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.414449 (E_RNA) where: Base-Base interactions energy: -1653.395 where: short stacking energy: -639.378 Base-Backbone interact. energy: 0.971 local terms energy: -608.990679 where: bonds (distance) C4'-P energy: -113.342 bonds (distance) P-C4' energy: -102.359 flat angles C4'-P-C4' energy: -120.296 flat angles P-C4'-P energy: -89.137 tors. eta vs tors. theta energy: -183.857 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: 309 Temperature: 1.250000 Total energy: -2239.280169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.280169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.280169 (E_RNA) where: Base-Base interactions energy: -1625.515 where: short stacking energy: -662.599 Base-Backbone interact. energy: -0.697 local terms energy: -613.068385 where: bonds (distance) C4'-P energy: -102.919 bonds (distance) P-C4' energy: -86.922 flat angles C4'-P-C4' energy: -135.962 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -194.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -2025.011918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.011918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.011918 (E_RNA) where: Base-Base interactions energy: -1472.944 where: short stacking energy: -574.072 Base-Backbone interact. energy: -1.834 local terms energy: -550.233937 where: bonds (distance) C4'-P energy: -87.812 bonds (distance) P-C4' energy: -95.462 flat angles C4'-P-C4' energy: -131.706 flat angles P-C4'-P energy: -73.119 tors. eta vs tors. theta energy: -162.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1779.989370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.989370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.989370 (E_RNA) where: Base-Base interactions energy: -1246.636 where: short stacking energy: -489.532 Base-Backbone interact. energy: 0.537 local terms energy: -533.890525 where: bonds (distance) C4'-P energy: -103.435 bonds (distance) P-C4' energy: -101.653 flat angles C4'-P-C4' energy: -126.699 flat angles P-C4'-P energy: -77.068 tors. eta vs tors. theta energy: -125.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2707.775970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.775970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.775970 (E_RNA) where: Base-Base interactions energy: -1977.632 where: short stacking energy: -775.996 Base-Backbone interact. energy: 1.701 local terms energy: -731.844894 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -114.501 flat angles C4'-P-C4' energy: -157.267 flat angles P-C4'-P energy: -106.702 tors. eta vs tors. theta energy: -227.475 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: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2626.727782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.727782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.727782 (E_RNA) where: Base-Base interactions energy: -1951.821 where: short stacking energy: -760.446 Base-Backbone interact. energy: 1.668 local terms energy: -676.575001 where: bonds (distance) C4'-P energy: -115.051 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -135.962 flat angles P-C4'-P energy: -95.106 tors. eta vs tors. theta energy: -218.068 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: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2559.144884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.144884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.144884 (E_RNA) where: Base-Base interactions energy: -1844.461 where: short stacking energy: -722.721 Base-Backbone interact. energy: -0.107 local terms energy: -714.576781 where: bonds (distance) C4'-P energy: -112.610 bonds (distance) P-C4' energy: -130.655 flat angles C4'-P-C4' energy: -147.025 flat angles P-C4'-P energy: -102.237 tors. eta vs tors. theta energy: -222.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2479.797844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.797844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.797844 (E_RNA) where: Base-Base interactions energy: -1772.865 where: short stacking energy: -706.577 Base-Backbone interact. energy: -0.816 local terms energy: -706.117352 where: bonds (distance) C4'-P energy: -127.329 bonds (distance) P-C4' energy: -122.450 flat angles C4'-P-C4' energy: -147.936 flat angles P-C4'-P energy: -102.356 tors. eta vs tors. theta energy: -206.046 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: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2401.242733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.242733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.242733 (E_RNA) where: Base-Base interactions energy: -1722.890 where: short stacking energy: -679.667 Base-Backbone interact. energy: -1.873 local terms energy: -676.480191 where: bonds (distance) C4'-P energy: -110.974 bonds (distance) P-C4' energy: -125.158 flat angles C4'-P-C4' energy: -139.622 flat angles P-C4'-P energy: -96.537 tors. eta vs tors. theta energy: -204.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2354.877265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.877265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.877265 (E_RNA) where: Base-Base interactions energy: -1727.351 where: short stacking energy: -655.955 Base-Backbone interact. energy: 3.443 local terms energy: -630.969637 where: bonds (distance) C4'-P energy: -98.649 bonds (distance) P-C4' energy: -111.033 flat angles C4'-P-C4' energy: -138.396 flat angles P-C4'-P energy: -97.976 tors. eta vs tors. theta energy: -184.916 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: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2312.938130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.938130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.938130 (E_RNA) where: Base-Base interactions energy: -1704.947 where: short stacking energy: -641.752 Base-Backbone interact. energy: 0.951 local terms energy: -608.942144 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -94.834 flat angles C4'-P-C4' energy: -128.011 flat angles P-C4'-P energy: -93.645 tors. eta vs tors. theta energy: -186.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -2244.622558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.622558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.622558 (E_RNA) where: Base-Base interactions energy: -1635.710 where: short stacking energy: -648.043 Base-Backbone interact. energy: 0.953 local terms energy: -609.865881 where: bonds (distance) C4'-P energy: -106.295 bonds (distance) P-C4' energy: -99.422 flat angles C4'-P-C4' energy: -136.477 flat angles P-C4'-P energy: -74.778 tors. eta vs tors. theta energy: -192.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -2045.103612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.103612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.103612 (E_RNA) where: Base-Base interactions energy: -1456.991 where: short stacking energy: -557.880 Base-Backbone interact. energy: -1.574 local terms energy: -586.538050 where: bonds (distance) C4'-P energy: -125.528 bonds (distance) P-C4' energy: -89.450 flat angles C4'-P-C4' energy: -128.553 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: -167.634 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: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1764.677237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.677237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.677237 (E_RNA) where: Base-Base interactions energy: -1253.991 where: short stacking energy: -498.558 Base-Backbone interact. energy: -0.957 local terms energy: -509.728983 where: bonds (distance) C4'-P energy: -98.522 bonds (distance) P-C4' energy: -98.147 flat angles C4'-P-C4' energy: -111.157 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -143.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2714.083138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.083138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.083138 (E_RNA) where: Base-Base interactions energy: -1986.950 where: short stacking energy: -763.508 Base-Backbone interact. energy: -3.998 local terms energy: -723.135121 where: bonds (distance) C4'-P energy: -112.075 bonds (distance) P-C4' energy: -123.397 flat angles C4'-P-C4' energy: -156.102 flat angles P-C4'-P energy: -101.294 tors. eta vs tors. theta energy: -230.267 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: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2637.932844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.932844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.932844 (E_RNA) where: Base-Base interactions energy: -1945.639 where: short stacking energy: -751.317 Base-Backbone interact. energy: 2.880 local terms energy: -695.173138 where: bonds (distance) C4'-P energy: -110.891 bonds (distance) P-C4' energy: -121.970 flat angles C4'-P-C4' energy: -147.593 flat angles P-C4'-P energy: -99.770 tors. eta vs tors. theta energy: -214.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2564.439142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.439142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.439142 (E_RNA) where: Base-Base interactions energy: -1890.224 where: short stacking energy: -735.753 Base-Backbone interact. energy: -1.830 local terms energy: -672.385765 where: bonds (distance) C4'-P energy: -111.866 bonds (distance) P-C4' energy: -116.863 flat angles C4'-P-C4' energy: -140.618 flat angles P-C4'-P energy: -84.865 tors. eta vs tors. theta energy: -218.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2501.075109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.075109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.075109 (E_RNA) where: Base-Base interactions energy: -1820.636 where: short stacking energy: -718.705 Base-Backbone interact. energy: 1.631 local terms energy: -682.070318 where: bonds (distance) C4'-P energy: -117.016 bonds (distance) P-C4' energy: -97.256 flat angles C4'-P-C4' energy: -151.510 flat angles P-C4'-P energy: -97.030 tors. eta vs tors. theta energy: -219.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2433.014894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.014894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.014894 (E_RNA) where: Base-Base interactions energy: -1753.030 where: short stacking energy: -682.978 Base-Backbone interact. energy: 1.464 local terms energy: -681.448686 where: bonds (distance) C4'-P energy: -109.339 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -149.725 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -211.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2397.071567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.071567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.071567 (E_RNA) where: Base-Base interactions energy: -1770.150 where: short stacking energy: -696.772 Base-Backbone interact. energy: -1.286 local terms energy: -625.635867 where: bonds (distance) C4'-P energy: -102.750 bonds (distance) P-C4' energy: -76.040 flat angles C4'-P-C4' energy: -141.447 flat angles P-C4'-P energy: -99.361 tors. eta vs tors. theta energy: -206.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2334.184140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.184140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.184140 (E_RNA) where: Base-Base interactions energy: -1725.571 where: short stacking energy: -667.043 Base-Backbone interact. energy: -0.944 local terms energy: -607.668494 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -91.337 flat angles C4'-P-C4' energy: -130.028 flat angles P-C4'-P energy: -95.616 tors. eta vs tors. theta energy: -196.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -2220.469834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.469834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.469834 (E_RNA) where: Base-Base interactions energy: -1625.310 where: short stacking energy: -641.879 Base-Backbone interact. energy: -1.896 local terms energy: -593.264138 where: bonds (distance) C4'-P energy: -102.909 bonds (distance) P-C4' energy: -107.014 flat angles C4'-P-C4' energy: -135.461 flat angles P-C4'-P energy: -66.805 tors. eta vs tors. theta energy: -181.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -2035.282691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.282691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.282691 (E_RNA) where: Base-Base interactions energy: -1484.517 where: short stacking energy: -562.084 Base-Backbone interact. energy: -0.278 local terms energy: -550.488229 where: bonds (distance) C4'-P energy: -102.993 bonds (distance) P-C4' energy: -96.786 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -158.843 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: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1801.764996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.764996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.764996 (E_RNA) where: Base-Base interactions energy: -1288.799 where: short stacking energy: -530.200 Base-Backbone interact. energy: 0.892 local terms energy: -513.857845 where: bonds (distance) C4'-P energy: -106.760 bonds (distance) P-C4' energy: -74.130 flat angles C4'-P-C4' energy: -107.956 flat angles P-C4'-P energy: -78.943 tors. eta vs tors. theta energy: -146.069 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: 312 Temperature: 0.900000 Total energy: -2706.506364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.506364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.506364 (E_RNA) where: Base-Base interactions energy: -1962.758 where: short stacking energy: -773.853 Base-Backbone interact. energy: 2.847 local terms energy: -746.596059 where: bonds (distance) C4'-P energy: -125.880 bonds (distance) P-C4' energy: -133.006 flat angles C4'-P-C4' energy: -158.337 flat angles P-C4'-P energy: -106.344 tors. eta vs tors. theta energy: -223.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2625.188310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.188310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.188310 (E_RNA) where: Base-Base interactions energy: -1940.453 where: short stacking energy: -751.895 Base-Backbone interact. energy: -0.414 local terms energy: -684.320597 where: bonds (distance) C4'-P energy: -116.964 bonds (distance) P-C4' energy: -119.912 flat angles C4'-P-C4' energy: -145.324 flat angles P-C4'-P energy: -82.983 tors. eta vs tors. theta energy: -219.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2571.603760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.603760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.603760 (E_RNA) where: Base-Base interactions energy: -1860.872 where: short stacking energy: -715.398 Base-Backbone interact. energy: -0.449 local terms energy: -710.283192 where: bonds (distance) C4'-P energy: -116.698 bonds (distance) P-C4' energy: -120.798 flat angles C4'-P-C4' energy: -149.944 flat angles P-C4'-P energy: -109.136 tors. eta vs tors. theta energy: -213.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2514.611213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.611213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.611213 (E_RNA) where: Base-Base interactions energy: -1818.791 where: short stacking energy: -703.441 Base-Backbone interact. energy: -1.257 local terms energy: -694.563044 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -112.393 flat angles C4'-P-C4' energy: -138.859 flat angles P-C4'-P energy: -111.310 tors. eta vs tors. theta energy: -215.500 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: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2409.231566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.231566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.231566 (E_RNA) where: Base-Base interactions energy: -1781.810 where: short stacking energy: -698.769 Base-Backbone interact. energy: 2.463 local terms energy: -629.885225 where: bonds (distance) C4'-P energy: -112.506 bonds (distance) P-C4' energy: -103.894 flat angles C4'-P-C4' energy: -141.324 flat angles P-C4'-P energy: -67.906 tors. eta vs tors. theta energy: -204.256 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: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2381.040773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.040773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.040773 (E_RNA) where: Base-Base interactions energy: -1735.610 where: short stacking energy: -678.081 Base-Backbone interact. energy: -1.601 local terms energy: -643.829001 where: bonds (distance) C4'-P energy: -113.684 bonds (distance) P-C4' energy: -105.442 flat angles C4'-P-C4' energy: -131.543 flat angles P-C4'-P energy: -90.655 tors. eta vs tors. theta energy: -202.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2312.464980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.464980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.464980 (E_RNA) where: Base-Base interactions energy: -1691.896 where: short stacking energy: -664.683 Base-Backbone interact. energy: -0.679 local terms energy: -619.890373 where: bonds (distance) C4'-P energy: -89.286 bonds (distance) P-C4' energy: -103.500 flat angles C4'-P-C4' energy: -132.181 flat angles P-C4'-P energy: -100.475 tors. eta vs tors. theta energy: -194.448 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: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2190.385939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.385939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.385939 (E_RNA) where: Base-Base interactions energy: -1576.682 where: short stacking energy: -619.749 Base-Backbone interact. energy: -0.582 local terms energy: -613.122026 where: bonds (distance) C4'-P energy: -118.007 bonds (distance) P-C4' energy: -95.686 flat angles C4'-P-C4' energy: -120.281 flat angles P-C4'-P energy: -84.927 tors. eta vs tors. theta energy: -194.222 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: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -2058.824255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.824255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.824255 (E_RNA) where: Base-Base interactions energy: -1492.231 where: short stacking energy: -579.453 Base-Backbone interact. energy: -1.887 local terms energy: -564.707123 where: bonds (distance) C4'-P energy: -89.979 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -109.392 flat angles P-C4'-P energy: -78.299 tors. eta vs tors. theta energy: -171.889 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: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1824.598578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.598578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.598578 (E_RNA) where: Base-Base interactions energy: -1287.637 where: short stacking energy: -497.531 Base-Backbone interact. energy: -0.432 local terms energy: -536.529740 where: bonds (distance) C4'-P energy: -97.772 bonds (distance) P-C4' energy: -100.730 flat angles C4'-P-C4' energy: -115.190 flat angles P-C4'-P energy: -67.246 tors. eta vs tors. theta energy: -155.592 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: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2704.505572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.505572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.505572 (E_RNA) where: Base-Base interactions energy: -1963.749 where: short stacking energy: -761.166 Base-Backbone interact. energy: -1.565 local terms energy: -739.191698 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -124.854 flat angles C4'-P-C4' energy: -152.991 flat angles P-C4'-P energy: -111.470 tors. eta vs tors. theta energy: -226.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2627.092895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.092895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.092895 (E_RNA) where: Base-Base interactions energy: -1920.281 where: short stacking energy: -739.815 Base-Backbone interact. energy: -0.193 local terms energy: -706.618312 where: bonds (distance) C4'-P energy: -112.144 bonds (distance) P-C4' energy: -131.813 flat angles C4'-P-C4' energy: -151.168 flat angles P-C4'-P energy: -102.958 tors. eta vs tors. theta energy: -208.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2562.102473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.102473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.102473 (E_RNA) where: Base-Base interactions energy: -1851.345 where: short stacking energy: -735.713 Base-Backbone interact. energy: -2.592 local terms energy: -708.165720 where: bonds (distance) C4'-P energy: -122.319 bonds (distance) P-C4' energy: -117.074 flat angles C4'-P-C4' energy: -147.087 flat angles P-C4'-P energy: -101.464 tors. eta vs tors. theta energy: -220.222 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: 5 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2508.701830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.701830 (E_RNA) where: Base-Base interactions energy: -1814.651 where: short stacking energy: -707.612 Base-Backbone interact. energy: -1.365 local terms energy: -692.685964 where: bonds (distance) C4'-P energy: -113.652 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -142.696 flat angles P-C4'-P energy: -103.055 tors. eta vs tors. theta energy: -211.655 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: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2431.481251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.481251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.481251 (E_RNA) where: Base-Base interactions energy: -1757.553 where: short stacking energy: -692.016 Base-Backbone interact. energy: -1.748 local terms energy: -672.180790 where: bonds (distance) C4'-P energy: -117.308 bonds (distance) P-C4' energy: -121.251 flat angles C4'-P-C4' energy: -140.995 flat angles P-C4'-P energy: -88.996 tors. eta vs tors. theta energy: -203.631 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: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2384.835627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.835627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.835627 (E_RNA) where: Base-Base interactions energy: -1754.735 where: short stacking energy: -664.154 Base-Backbone interact. energy: 0.889 local terms energy: -630.989103 where: bonds (distance) C4'-P energy: -101.320 bonds (distance) P-C4' energy: -113.652 flat angles C4'-P-C4' energy: -138.068 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -193.122 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: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2295.403165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.403165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.403165 (E_RNA) where: Base-Base interactions energy: -1674.669 where: short stacking energy: -648.021 Base-Backbone interact. energy: 0.004 local terms energy: -620.738160 where: bonds (distance) C4'-P energy: -114.346 bonds (distance) P-C4' energy: -95.491 flat angles C4'-P-C4' energy: -135.677 flat angles P-C4'-P energy: -82.791 tors. eta vs tors. theta energy: -192.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -2259.428914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.428914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.428914 (E_RNA) where: Base-Base interactions energy: -1639.411 where: short stacking energy: -642.545 Base-Backbone interact. energy: 0.470 local terms energy: -620.488057 where: bonds (distance) C4'-P energy: -110.964 bonds (distance) P-C4' energy: -99.446 flat angles C4'-P-C4' energy: -123.413 flat angles P-C4'-P energy: -91.856 tors. eta vs tors. theta energy: -194.810 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: 313 Temperature: 1.300000 Total energy: -2034.046039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.046039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.046039 (E_RNA) where: Base-Base interactions energy: -1494.844 where: short stacking energy: -573.412 Base-Backbone interact. energy: 3.805 local terms energy: -543.006232 where: bonds (distance) C4'-P energy: -91.793 bonds (distance) P-C4' energy: -92.026 flat angles C4'-P-C4' energy: -121.171 flat angles P-C4'-P energy: -76.652 tors. eta vs tors. theta energy: -161.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1834.273132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.273132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.273132 (E_RNA) where: Base-Base interactions energy: -1296.739 where: short stacking energy: -521.231 Base-Backbone interact. energy: -1.529 local terms energy: -536.005724 where: bonds (distance) C4'-P energy: -103.988 bonds (distance) P-C4' energy: -104.289 flat angles C4'-P-C4' energy: -111.296 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -135.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2703.641751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.641751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.641751 (E_RNA) where: Base-Base interactions energy: -1995.922 where: short stacking energy: -778.579 Base-Backbone interact. energy: -0.375 local terms energy: -707.345548 where: bonds (distance) C4'-P energy: -103.449 bonds (distance) P-C4' energy: -118.336 flat angles C4'-P-C4' energy: -152.067 flat angles P-C4'-P energy: -102.808 tors. eta vs tors. theta energy: -230.686 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: 314 Temperature: 0.950000 Total energy: -2647.906944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.906944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.906944 (E_RNA) where: Base-Base interactions energy: -1938.406 where: short stacking energy: -745.224 Base-Backbone interact. energy: 1.881 local terms energy: -711.382073 where: bonds (distance) C4'-P energy: -114.078 bonds (distance) P-C4' energy: -119.053 flat angles C4'-P-C4' energy: -158.221 flat angles P-C4'-P energy: -109.870 tors. eta vs tors. theta energy: -210.160 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: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2562.450843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.450843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.450843 (E_RNA) where: Base-Base interactions energy: -1846.675 where: short stacking energy: -713.447 Base-Backbone interact. energy: 0.464 local terms energy: -716.239336 where: bonds (distance) C4'-P energy: -109.170 bonds (distance) P-C4' energy: -132.026 flat angles C4'-P-C4' energy: -151.716 flat angles P-C4'-P energy: -106.104 tors. eta vs tors. theta energy: -217.223 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: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2465.641814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.641814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.641814 (E_RNA) where: Base-Base interactions energy: -1766.676 where: short stacking energy: -699.001 Base-Backbone interact. energy: -0.960 local terms energy: -698.005492 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -122.503 flat angles C4'-P-C4' energy: -135.038 flat angles P-C4'-P energy: -94.062 tors. eta vs tors. theta energy: -213.504 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: 314 Temperature: 1.100000 Total energy: -2448.284169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.284169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.284169 (E_RNA) where: Base-Base interactions energy: -1775.748 where: short stacking energy: -694.760 Base-Backbone interact. energy: -2.398 local terms energy: -670.137861 where: bonds (distance) C4'-P energy: -111.056 bonds (distance) P-C4' energy: -111.097 flat angles C4'-P-C4' energy: -145.227 flat angles P-C4'-P energy: -93.932 tors. eta vs tors. theta energy: -208.825 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: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2382.505474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.505474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.505474 (E_RNA) where: Base-Base interactions energy: -1756.660 where: short stacking energy: -683.611 Base-Backbone interact. energy: 0.021 local terms energy: -625.866995 where: bonds (distance) C4'-P energy: -91.587 bonds (distance) P-C4' energy: -112.948 flat angles C4'-P-C4' energy: -128.847 flat angles P-C4'-P energy: -92.657 tors. eta vs tors. theta energy: -199.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2310.508187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.508187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.508187 (E_RNA) where: Base-Base interactions energy: -1703.209 where: short stacking energy: -655.829 Base-Backbone interact. energy: -1.146 local terms energy: -606.153694 where: bonds (distance) C4'-P energy: -88.440 bonds (distance) P-C4' energy: -114.864 flat angles C4'-P-C4' energy: -126.110 flat angles P-C4'-P energy: -85.235 tors. eta vs tors. theta energy: -191.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -2208.691397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.691397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.691397 (E_RNA) where: Base-Base interactions energy: -1597.337 where: short stacking energy: -606.411 Base-Backbone interact. energy: 1.316 local terms energy: -612.670389 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -109.192 flat angles C4'-P-C4' energy: -127.292 flat angles P-C4'-P energy: -97.432 tors. eta vs tors. theta energy: -198.271 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -2018.751276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.751276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.751276 (E_RNA) where: Base-Base interactions energy: -1461.211 where: short stacking energy: -554.997 Base-Backbone interact. energy: 1.355 local terms energy: -558.895609 where: bonds (distance) C4'-P energy: -79.117 bonds (distance) P-C4' energy: -108.261 flat angles C4'-P-C4' energy: -123.363 flat angles P-C4'-P energy: -79.977 tors. eta vs tors. theta energy: -168.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1831.536965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.536965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.536965 (E_RNA) where: Base-Base interactions energy: -1315.341 where: short stacking energy: -512.014 Base-Backbone interact. energy: 0.255 local terms energy: -516.450470 where: bonds (distance) C4'-P energy: -81.057 bonds (distance) P-C4' energy: -96.702 flat angles C4'-P-C4' energy: -122.790 flat angles P-C4'-P energy: -82.312 tors. eta vs tors. theta energy: -133.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2704.662939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.662939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.662939 (E_RNA) where: Base-Base interactions energy: -1952.551 where: short stacking energy: -765.687 Base-Backbone interact. energy: -1.174 local terms energy: -750.937928 where: bonds (distance) C4'-P energy: -126.853 bonds (distance) P-C4' energy: -137.525 flat angles C4'-P-C4' energy: -149.842 flat angles P-C4'-P energy: -104.248 tors. eta vs tors. theta energy: -232.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2635.880664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.880664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.880664 (E_RNA) where: Base-Base interactions energy: -1930.867 where: short stacking energy: -733.020 Base-Backbone interact. energy: -2.097 local terms energy: -702.916449 where: bonds (distance) C4'-P energy: -109.220 bonds (distance) P-C4' energy: -117.926 flat angles C4'-P-C4' energy: -148.598 flat angles P-C4'-P energy: -113.923 tors. eta vs tors. theta energy: -213.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2579.040650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.040650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.040650 (E_RNA) where: Base-Base interactions energy: -1865.185 where: short stacking energy: -715.309 Base-Backbone interact. energy: -0.946 local terms energy: -712.909540 where: bonds (distance) C4'-P energy: -119.093 bonds (distance) P-C4' energy: -121.855 flat angles C4'-P-C4' energy: -154.187 flat angles P-C4'-P energy: -102.540 tors. eta vs tors. theta energy: -215.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2484.568958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.568958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.568958 (E_RNA) where: Base-Base interactions energy: -1809.515 where: short stacking energy: -693.190 Base-Backbone interact. energy: 0.464 local terms energy: -675.517850 where: bonds (distance) C4'-P energy: -104.268 bonds (distance) P-C4' energy: -124.973 flat angles C4'-P-C4' energy: -143.985 flat angles P-C4'-P energy: -95.130 tors. eta vs tors. theta energy: -207.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2462.857151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.857151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.857151 (E_RNA) where: Base-Base interactions energy: -1781.399 where: short stacking energy: -698.050 Base-Backbone interact. energy: -0.714 local terms energy: -680.743736 where: bonds (distance) C4'-P energy: -118.577 bonds (distance) P-C4' energy: -111.215 flat angles C4'-P-C4' energy: -138.688 flat angles P-C4'-P energy: -106.667 tors. eta vs tors. theta energy: -205.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2377.700730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.700730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.700730 (E_RNA) where: Base-Base interactions energy: -1736.144 where: short stacking energy: -674.701 Base-Backbone interact. energy: 0.215 local terms energy: -641.771874 where: bonds (distance) C4'-P energy: -98.873 bonds (distance) P-C4' energy: -112.694 flat angles C4'-P-C4' energy: -132.534 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -211.570 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: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2310.982669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.982669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.982669 (E_RNA) where: Base-Base interactions energy: -1677.285 where: short stacking energy: -645.545 Base-Backbone interact. energy: 0.445 local terms energy: -634.142468 where: bonds (distance) C4'-P energy: -97.775 bonds (distance) P-C4' energy: -106.946 flat angles C4'-P-C4' energy: -140.498 flat angles P-C4'-P energy: -92.972 tors. eta vs tors. theta energy: -195.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2232.601783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.601783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.601783 (E_RNA) where: Base-Base interactions energy: -1647.299 where: short stacking energy: -653.281 Base-Backbone interact. energy: -1.445 local terms energy: -583.858493 where: bonds (distance) C4'-P energy: -80.593 bonds (distance) P-C4' energy: -108.440 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -82.836 tors. eta vs tors. theta energy: -188.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -2033.957494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.957494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.957494 (E_RNA) where: Base-Base interactions energy: -1484.001 where: short stacking energy: -565.989 Base-Backbone interact. energy: 0.423 local terms energy: -550.379183 where: bonds (distance) C4'-P energy: -107.176 bonds (distance) P-C4' energy: -96.549 flat angles C4'-P-C4' energy: -123.059 flat angles P-C4'-P energy: -72.448 tors. eta vs tors. theta energy: -151.147 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: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1865.885096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.885096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.885096 (E_RNA) where: Base-Base interactions energy: -1343.339 where: short stacking energy: -539.547 Base-Backbone interact. energy: -1.812 local terms energy: -520.733781 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -87.698 flat angles C4'-P-C4' energy: -112.120 flat angles P-C4'-P energy: -67.656 tors. eta vs tors. theta energy: -156.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2702.695349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.695349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.695349 (E_RNA) where: Base-Base interactions energy: -1970.940 where: short stacking energy: -774.258 Base-Backbone interact. energy: -2.419 local terms energy: -729.336787 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -122.365 flat angles C4'-P-C4' energy: -152.813 flat angles P-C4'-P energy: -106.788 tors. eta vs tors. theta energy: -225.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2617.585443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.585443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.585443 (E_RNA) where: Base-Base interactions energy: -1930.626 where: short stacking energy: -750.159 Base-Backbone interact. energy: -0.917 local terms energy: -686.043170 where: bonds (distance) C4'-P energy: -118.521 bonds (distance) P-C4' energy: -108.512 flat angles C4'-P-C4' energy: -143.235 flat angles P-C4'-P energy: -102.023 tors. eta vs tors. theta energy: -213.752 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: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2569.014186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.014186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.014186 (E_RNA) where: Base-Base interactions energy: -1865.630 where: short stacking energy: -722.943 Base-Backbone interact. energy: -0.530 local terms energy: -702.854032 where: bonds (distance) C4'-P energy: -115.764 bonds (distance) P-C4' energy: -125.628 flat angles C4'-P-C4' energy: -137.839 flat angles P-C4'-P energy: -109.119 tors. eta vs tors. theta energy: -214.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2484.900602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.900602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.900602 (E_RNA) where: Base-Base interactions energy: -1822.954 where: short stacking energy: -698.734 Base-Backbone interact. energy: 1.275 local terms energy: -663.221578 where: bonds (distance) C4'-P energy: -108.606 bonds (distance) P-C4' energy: -112.291 flat angles C4'-P-C4' energy: -136.763 flat angles P-C4'-P energy: -88.871 tors. eta vs tors. theta energy: -216.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2457.500258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.500258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.500258 (E_RNA) where: Base-Base interactions energy: -1774.081 where: short stacking energy: -682.044 Base-Backbone interact. energy: -1.128 local terms energy: -682.291431 where: bonds (distance) C4'-P energy: -128.259 bonds (distance) P-C4' energy: -106.172 flat angles C4'-P-C4' energy: -132.493 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -209.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2355.234242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.234242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.234242 (E_RNA) where: Base-Base interactions energy: -1687.427 where: short stacking energy: -657.795 Base-Backbone interact. energy: -3.260 local terms energy: -664.546807 where: bonds (distance) C4'-P energy: -114.333 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -143.549 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -198.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2312.623293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.623293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.623293 (E_RNA) where: Base-Base interactions energy: -1664.546 where: short stacking energy: -646.780 Base-Backbone interact. energy: -1.186 local terms energy: -646.891960 where: bonds (distance) C4'-P energy: -119.363 bonds (distance) P-C4' energy: -108.994 flat angles C4'-P-C4' energy: -130.301 flat angles P-C4'-P energy: -91.455 tors. eta vs tors. theta energy: -196.779 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: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -2181.911719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.911719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.911719 (E_RNA) where: Base-Base interactions energy: -1581.862 where: short stacking energy: -621.589 Base-Backbone interact. energy: -2.365 local terms energy: -597.684807 where: bonds (distance) C4'-P energy: -105.198 bonds (distance) P-C4' energy: -106.169 flat angles C4'-P-C4' energy: -124.214 flat angles P-C4'-P energy: -88.342 tors. eta vs tors. theta energy: -173.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -2029.001498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.001498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.001498 (E_RNA) where: Base-Base interactions energy: -1477.799 where: short stacking energy: -566.461 Base-Backbone interact. energy: -1.258 local terms energy: -549.944061 where: bonds (distance) C4'-P energy: -94.569 bonds (distance) P-C4' energy: -98.476 flat angles C4'-P-C4' energy: -114.661 flat angles P-C4'-P energy: -81.784 tors. eta vs tors. theta energy: -160.453 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: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1779.551267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.551267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.551267 (E_RNA) where: Base-Base interactions energy: -1248.035 where: short stacking energy: -499.645 Base-Backbone interact. energy: 1.636 local terms energy: -533.151936 where: bonds (distance) C4'-P energy: -109.456 bonds (distance) P-C4' energy: -85.039 flat angles C4'-P-C4' energy: -120.414 flat angles P-C4'-P energy: -88.901 tors. eta vs tors. theta energy: -129.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2724.417457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.417457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.417457 (E_RNA) where: Base-Base interactions energy: -1987.879 where: short stacking energy: -778.308 Base-Backbone interact. energy: 0.522 local terms energy: -737.059785 where: bonds (distance) C4'-P energy: -116.184 bonds (distance) P-C4' energy: -125.289 flat angles C4'-P-C4' energy: -154.110 flat angles P-C4'-P energy: -112.473 tors. eta vs tors. theta energy: -229.005 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: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2641.215125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.215125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.215125 (E_RNA) where: Base-Base interactions energy: -1924.652 where: short stacking energy: -736.776 Base-Backbone interact. energy: -1.050 local terms energy: -715.512786 where: bonds (distance) C4'-P energy: -124.165 bonds (distance) P-C4' energy: -133.434 flat angles C4'-P-C4' energy: -147.234 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -210.094 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: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2557.949124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.949124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.949124 (E_RNA) where: Base-Base interactions energy: -1868.544 where: short stacking energy: -726.604 Base-Backbone interact. energy: -0.724 local terms energy: -688.681278 where: bonds (distance) C4'-P energy: -124.894 bonds (distance) P-C4' energy: -108.168 flat angles C4'-P-C4' energy: -147.082 flat angles P-C4'-P energy: -97.382 tors. eta vs tors. theta energy: -211.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2504.781255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.781255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.781255 (E_RNA) where: Base-Base interactions energy: -1829.815 where: short stacking energy: -705.606 Base-Backbone interact. energy: 0.055 local terms energy: -675.021668 where: bonds (distance) C4'-P energy: -102.517 bonds (distance) P-C4' energy: -112.650 flat angles C4'-P-C4' energy: -147.776 flat angles P-C4'-P energy: -102.403 tors. eta vs tors. theta energy: -209.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2432.618937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.618937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.618937 (E_RNA) where: Base-Base interactions energy: -1761.431 where: short stacking energy: -684.697 Base-Backbone interact. energy: 3.214 local terms energy: -674.401196 where: bonds (distance) C4'-P energy: -120.139 bonds (distance) P-C4' energy: -121.525 flat angles C4'-P-C4' energy: -138.272 flat angles P-C4'-P energy: -86.395 tors. eta vs tors. theta energy: -208.070 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: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2364.721117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.721117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.721117 (E_RNA) where: Base-Base interactions energy: -1697.927 where: short stacking energy: -664.431 Base-Backbone interact. energy: -2.030 local terms energy: -664.763717 where: bonds (distance) C4'-P energy: -111.616 bonds (distance) P-C4' energy: -121.948 flat angles C4'-P-C4' energy: -135.358 flat angles P-C4'-P energy: -89.790 tors. eta vs tors. theta energy: -206.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2327.711674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.711674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.711674 (E_RNA) where: Base-Base interactions energy: -1691.686 where: short stacking energy: -664.489 Base-Backbone interact. energy: -1.861 local terms energy: -634.164474 where: bonds (distance) C4'-P energy: -89.853 bonds (distance) P-C4' energy: -117.901 flat angles C4'-P-C4' energy: -137.163 flat angles P-C4'-P energy: -90.426 tors. eta vs tors. theta energy: -198.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2173.429691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.429691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.429691 (E_RNA) where: Base-Base interactions energy: -1581.308 where: short stacking energy: -596.162 Base-Backbone interact. energy: -1.092 local terms energy: -591.030506 where: bonds (distance) C4'-P energy: -103.298 bonds (distance) P-C4' energy: -109.270 flat angles C4'-P-C4' energy: -112.013 flat angles P-C4'-P energy: -84.223 tors. eta vs tors. theta energy: -182.226 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: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1980.647078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.647078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.647078 (E_RNA) where: Base-Base interactions energy: -1440.586 where: short stacking energy: -551.021 Base-Backbone interact. energy: 0.581 local terms energy: -540.642468 where: bonds (distance) C4'-P energy: -96.275 bonds (distance) P-C4' energy: -92.221 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -152.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1741.770107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.770107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.770107 (E_RNA) where: Base-Base interactions energy: -1247.406 where: short stacking energy: -481.653 Base-Backbone interact. energy: 1.537 local terms energy: -495.901238 where: bonds (distance) C4'-P energy: -87.429 bonds (distance) P-C4' energy: -108.660 flat angles C4'-P-C4' energy: -116.458 flat angles P-C4'-P energy: -60.821 tors. eta vs tors. theta energy: -122.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2717.151172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.151172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.151172 (E_RNA) where: Base-Base interactions energy: -1965.602 where: short stacking energy: -776.065 Base-Backbone interact. energy: 0.439 local terms energy: -751.988121 where: bonds (distance) C4'-P energy: -129.698 bonds (distance) P-C4' energy: -126.979 flat angles C4'-P-C4' energy: -156.731 flat angles P-C4'-P energy: -109.571 tors. eta vs tors. theta energy: -229.010 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: 318 Temperature: 0.950000 Total energy: -2629.775404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.775404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.775404 (E_RNA) where: Base-Base interactions energy: -1940.446 where: short stacking energy: -742.771 Base-Backbone interact. energy: -0.516 local terms energy: -688.813881 where: bonds (distance) C4'-P energy: -115.937 bonds (distance) P-C4' energy: -129.228 flat angles C4'-P-C4' energy: -142.033 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -204.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2543.054201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.054201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.054201 (E_RNA) where: Base-Base interactions energy: -1843.827 where: short stacking energy: -730.199 Base-Backbone interact. energy: -2.151 local terms energy: -697.075932 where: bonds (distance) C4'-P energy: -119.342 bonds (distance) P-C4' energy: -116.265 flat angles C4'-P-C4' energy: -139.119 flat angles P-C4'-P energy: -104.701 tors. eta vs tors. theta energy: -217.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2480.981092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.981092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.981092 (E_RNA) where: Base-Base interactions energy: -1822.041 where: short stacking energy: -706.892 Base-Backbone interact. energy: -0.551 local terms energy: -658.388986 where: bonds (distance) C4'-P energy: -113.811 bonds (distance) P-C4' energy: -112.909 flat angles C4'-P-C4' energy: -128.310 flat angles P-C4'-P energy: -94.296 tors. eta vs tors. theta energy: -209.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2431.593332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.593332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.593332 (E_RNA) where: Base-Base interactions energy: -1740.430 where: short stacking energy: -674.661 Base-Backbone interact. energy: -1.269 local terms energy: -689.894423 where: bonds (distance) C4'-P energy: -121.981 bonds (distance) P-C4' energy: -120.464 flat angles C4'-P-C4' energy: -141.277 flat angles P-C4'-P energy: -100.756 tors. eta vs tors. theta energy: -205.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2355.325304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.325304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.325304 (E_RNA) where: Base-Base interactions energy: -1696.240 where: short stacking energy: -661.790 Base-Backbone interact. energy: 0.745 local terms energy: -659.830139 where: bonds (distance) C4'-P energy: -121.349 bonds (distance) P-C4' energy: -101.331 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -92.207 tors. eta vs tors. theta energy: -209.853 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: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2356.064093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.064093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.064093 (E_RNA) where: Base-Base interactions energy: -1707.220 where: short stacking energy: -664.816 Base-Backbone interact. energy: -0.343 local terms energy: -648.501379 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -113.824 flat angles C4'-P-C4' energy: -129.046 flat angles P-C4'-P energy: -96.897 tors. eta vs tors. theta energy: -203.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2203.048960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.048960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.048960 (E_RNA) where: Base-Base interactions energy: -1593.355 where: short stacking energy: -604.561 Base-Backbone interact. energy: -1.696 local terms energy: -607.997775 where: bonds (distance) C4'-P energy: -89.940 bonds (distance) P-C4' energy: -95.290 flat angles C4'-P-C4' energy: -134.644 flat angles P-C4'-P energy: -87.611 tors. eta vs tors. theta energy: -200.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1969.199221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.199221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.199221 (E_RNA) where: Base-Base interactions energy: -1427.934 where: short stacking energy: -549.900 Base-Backbone interact. energy: -0.595 local terms energy: -540.670797 where: bonds (distance) C4'-P energy: -84.516 bonds (distance) P-C4' energy: -91.333 flat angles C4'-P-C4' energy: -124.144 flat angles P-C4'-P energy: -80.513 tors. eta vs tors. theta energy: -160.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1789.759526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.759526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.759526 (E_RNA) where: Base-Base interactions energy: -1278.004 where: short stacking energy: -507.372 Base-Backbone interact. energy: 0.350 local terms energy: -512.105498 where: bonds (distance) C4'-P energy: -98.679 bonds (distance) P-C4' energy: -94.143 flat angles C4'-P-C4' energy: -109.671 flat angles P-C4'-P energy: -67.599 tors. eta vs tors. theta energy: -142.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2711.088563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.088563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.088563 (E_RNA) where: Base-Base interactions energy: -1975.432 where: short stacking energy: -775.310 Base-Backbone interact. energy: -1.982 local terms energy: -733.674080 where: bonds (distance) C4'-P energy: -123.734 bonds (distance) P-C4' energy: -126.406 flat angles C4'-P-C4' energy: -149.275 flat angles P-C4'-P energy: -107.921 tors. eta vs tors. theta energy: -226.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2653.020523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.020523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.020523 (E_RNA) where: Base-Base interactions energy: -1933.332 where: short stacking energy: -723.707 Base-Backbone interact. energy: 3.290 local terms energy: -722.978707 where: bonds (distance) C4'-P energy: -124.703 bonds (distance) P-C4' energy: -134.745 flat angles C4'-P-C4' energy: -147.351 flat angles P-C4'-P energy: -105.006 tors. eta vs tors. theta energy: -211.174 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: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2556.323770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.323770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.323770 (E_RNA) where: Base-Base interactions energy: -1852.792 where: short stacking energy: -727.320 Base-Backbone interact. energy: -0.749 local terms energy: -702.783316 where: bonds (distance) C4'-P energy: -116.395 bonds (distance) P-C4' energy: -127.516 flat angles C4'-P-C4' energy: -148.590 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -212.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2520.573694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.573694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.573694 (E_RNA) where: Base-Base interactions energy: -1812.429 where: short stacking energy: -712.852 Base-Backbone interact. energy: -2.794 local terms energy: -705.350741 where: bonds (distance) C4'-P energy: -116.928 bonds (distance) P-C4' energy: -113.393 flat angles C4'-P-C4' energy: -149.726 flat angles P-C4'-P energy: -110.849 tors. eta vs tors. theta energy: -214.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2446.743345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.743345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.743345 (E_RNA) where: Base-Base interactions energy: -1802.306 where: short stacking energy: -690.129 Base-Backbone interact. energy: -1.246 local terms energy: -643.191582 where: bonds (distance) C4'-P energy: -102.420 bonds (distance) P-C4' energy: -113.325 flat angles C4'-P-C4' energy: -134.831 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: -204.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2382.460240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.460240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.460240 (E_RNA) where: Base-Base interactions energy: -1721.916 where: short stacking energy: -664.641 Base-Backbone interact. energy: -0.771 local terms energy: -659.773603 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -111.992 flat angles C4'-P-C4' energy: -134.111 flat angles P-C4'-P energy: -88.393 tors. eta vs tors. theta energy: -207.076 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: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2316.420534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.420534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.420534 (E_RNA) where: Base-Base interactions energy: -1687.751 where: short stacking energy: -659.480 Base-Backbone interact. energy: -1.669 local terms energy: -627.000753 where: bonds (distance) C4'-P energy: -102.078 bonds (distance) P-C4' energy: -118.765 flat angles C4'-P-C4' energy: -128.184 flat angles P-C4'-P energy: -80.905 tors. eta vs tors. theta energy: -197.069 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: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2267.912259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.912259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.912259 (E_RNA) where: Base-Base interactions energy: -1638.703 where: short stacking energy: -623.923 Base-Backbone interact. energy: 0.696 local terms energy: -629.905591 where: bonds (distance) C4'-P energy: -98.746 bonds (distance) P-C4' energy: -104.786 flat angles C4'-P-C4' energy: -137.925 flat angles P-C4'-P energy: -79.374 tors. eta vs tors. theta energy: -209.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -2002.232377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.232377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.232377 (E_RNA) where: Base-Base interactions energy: -1446.985 where: short stacking energy: -559.441 Base-Backbone interact. energy: -0.412 local terms energy: -554.835193 where: bonds (distance) C4'-P energy: -106.437 bonds (distance) P-C4' energy: -99.489 flat angles C4'-P-C4' energy: -114.880 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -162.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1793.021494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.021494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.021494 (E_RNA) where: Base-Base interactions energy: -1292.903 where: short stacking energy: -512.572 Base-Backbone interact. energy: 0.241 local terms energy: -500.360014 where: bonds (distance) C4'-P energy: -78.012 bonds (distance) P-C4' energy: -107.264 flat angles C4'-P-C4' energy: -110.156 flat angles P-C4'-P energy: -63.237 tors. eta vs tors. theta energy: -141.692 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: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2720.018256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.018256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.018256 (E_RNA) where: Base-Base interactions energy: -1969.061 where: short stacking energy: -775.195 Base-Backbone interact. energy: -1.215 local terms energy: -749.742482 where: bonds (distance) C4'-P energy: -120.434 bonds (distance) P-C4' energy: -124.224 flat angles C4'-P-C4' energy: -159.865 flat angles P-C4'-P energy: -115.794 tors. eta vs tors. theta energy: -229.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2642.128657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.128657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.128657 (E_RNA) where: Base-Base interactions energy: -1943.720 where: short stacking energy: -758.260 Base-Backbone interact. energy: 3.604 local terms energy: -702.012594 where: bonds (distance) C4'-P energy: -109.801 bonds (distance) P-C4' energy: -123.365 flat angles C4'-P-C4' energy: -149.373 flat angles P-C4'-P energy: -106.277 tors. eta vs tors. theta energy: -213.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2583.157795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.157795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.157795 (E_RNA) where: Base-Base interactions energy: -1865.283 where: short stacking energy: -720.086 Base-Backbone interact. energy: -1.706 local terms energy: -716.168204 where: bonds (distance) C4'-P energy: -125.569 bonds (distance) P-C4' energy: -124.738 flat angles C4'-P-C4' energy: -147.772 flat angles P-C4'-P energy: -95.963 tors. eta vs tors. theta energy: -222.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2508.089744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.089744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.089744 (E_RNA) where: Base-Base interactions energy: -1822.116 where: short stacking energy: -719.670 Base-Backbone interact. energy: 0.266 local terms energy: -686.239235 where: bonds (distance) C4'-P energy: -115.812 bonds (distance) P-C4' energy: -106.340 flat angles C4'-P-C4' energy: -147.298 flat angles P-C4'-P energy: -102.713 tors. eta vs tors. theta energy: -214.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2481.255377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.255377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.255377 (E_RNA) where: Base-Base interactions energy: -1841.172 where: short stacking energy: -701.292 Base-Backbone interact. energy: -1.098 local terms energy: -638.985588 where: bonds (distance) C4'-P energy: -109.568 bonds (distance) P-C4' energy: -95.447 flat angles C4'-P-C4' energy: -133.502 flat angles P-C4'-P energy: -96.581 tors. eta vs tors. theta energy: -203.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2368.521463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.521463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.521463 (E_RNA) where: Base-Base interactions energy: -1732.675 where: short stacking energy: -680.112 Base-Backbone interact. energy: -1.653 local terms energy: -634.193120 where: bonds (distance) C4'-P energy: -103.999 bonds (distance) P-C4' energy: -97.359 flat angles C4'-P-C4' energy: -134.081 flat angles P-C4'-P energy: -96.756 tors. eta vs tors. theta energy: -201.999 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: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2297.977138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.977138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.977138 (E_RNA) where: Base-Base interactions energy: -1670.570 where: short stacking energy: -620.177 Base-Backbone interact. energy: -0.724 local terms energy: -626.683093 where: bonds (distance) C4'-P energy: -101.733 bonds (distance) P-C4' energy: -97.081 flat angles C4'-P-C4' energy: -128.928 flat angles P-C4'-P energy: -105.752 tors. eta vs tors. theta energy: -193.190 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: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2252.663221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.663221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.663221 (E_RNA) where: Base-Base interactions energy: -1645.868 where: short stacking energy: -628.812 Base-Backbone interact. energy: -0.770 local terms energy: -606.025689 where: bonds (distance) C4'-P energy: -103.867 bonds (distance) P-C4' energy: -111.362 flat angles C4'-P-C4' energy: -124.006 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -185.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -2020.065838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.065838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.065838 (E_RNA) where: Base-Base interactions energy: -1485.910 where: short stacking energy: -580.267 Base-Backbone interact. energy: 0.656 local terms energy: -534.811529 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -93.229 flat angles C4'-P-C4' energy: -116.528 flat angles P-C4'-P energy: -54.963 tors. eta vs tors. theta energy: -169.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1778.860261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.860261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.860261 (E_RNA) where: Base-Base interactions energy: -1266.860 where: short stacking energy: -510.748 Base-Backbone interact. energy: -0.366 local terms energy: -511.634683 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -95.323 flat angles C4'-P-C4' energy: -124.707 flat angles P-C4'-P energy: -49.537 tors. eta vs tors. theta energy: -154.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2702.116062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.116062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.116062 (E_RNA) where: Base-Base interactions energy: -1962.399 where: short stacking energy: -767.457 Base-Backbone interact. energy: -1.221 local terms energy: -738.496222 where: bonds (distance) C4'-P energy: -123.370 bonds (distance) P-C4' energy: -123.560 flat angles C4'-P-C4' energy: -150.907 flat angles P-C4'-P energy: -106.818 tors. eta vs tors. theta energy: -233.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2620.400994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.400994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.400994 (E_RNA) where: Base-Base interactions energy: -1922.778 where: short stacking energy: -728.291 Base-Backbone interact. energy: 1.793 local terms energy: -699.416020 where: bonds (distance) C4'-P energy: -112.046 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -151.837 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -207.250 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: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2564.149613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.149613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.149613 (E_RNA) where: Base-Base interactions energy: -1864.555 where: short stacking energy: -710.059 Base-Backbone interact. energy: -0.752 local terms energy: -698.841799 where: bonds (distance) C4'-P energy: -117.801 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -144.460 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -212.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2507.325120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.325120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.325120 (E_RNA) where: Base-Base interactions energy: -1827.689 where: short stacking energy: -692.503 Base-Backbone interact. energy: -0.236 local terms energy: -679.400308 where: bonds (distance) C4'-P energy: -120.245 bonds (distance) P-C4' energy: -118.047 flat angles C4'-P-C4' energy: -139.164 flat angles P-C4'-P energy: -94.801 tors. eta vs tors. theta energy: -207.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2472.779918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.779918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.779918 (E_RNA) where: Base-Base interactions energy: -1813.781 where: short stacking energy: -725.386 Base-Backbone interact. energy: -1.115 local terms energy: -657.883409 where: bonds (distance) C4'-P energy: -104.396 bonds (distance) P-C4' energy: -103.606 flat angles C4'-P-C4' energy: -139.624 flat angles P-C4'-P energy: -89.613 tors. eta vs tors. theta energy: -220.646 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2316.636715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.636715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.636715 (E_RNA) where: Base-Base interactions energy: -1695.091 where: short stacking energy: -658.522 Base-Backbone interact. energy: -1.118 local terms energy: -620.427526 where: bonds (distance) C4'-P energy: -90.676 bonds (distance) P-C4' energy: -109.060 flat angles C4'-P-C4' energy: -130.274 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: -198.717 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: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2323.465043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.465043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.465043 (E_RNA) where: Base-Base interactions energy: -1694.155 where: short stacking energy: -661.686 Base-Backbone interact. energy: -1.288 local terms energy: -628.022763 where: bonds (distance) C4'-P energy: -100.494 bonds (distance) P-C4' energy: -112.228 flat angles C4'-P-C4' energy: -132.832 flat angles P-C4'-P energy: -87.882 tors. eta vs tors. theta energy: -194.586 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: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2222.714939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.714939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.714939 (E_RNA) where: Base-Base interactions energy: -1640.763 where: short stacking energy: -643.581 Base-Backbone interact. energy: -0.715 local terms energy: -581.236214 where: bonds (distance) C4'-P energy: -103.599 bonds (distance) P-C4' energy: -90.959 flat angles C4'-P-C4' energy: -118.431 flat angles P-C4'-P energy: -75.042 tors. eta vs tors. theta energy: -193.206 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: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -2006.631002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.631002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.631002 (E_RNA) where: Base-Base interactions energy: -1437.730 where: short stacking energy: -542.013 Base-Backbone interact. energy: 0.171 local terms energy: -569.071844 where: bonds (distance) C4'-P energy: -113.611 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -122.954 flat angles P-C4'-P energy: -69.421 tors. eta vs tors. theta energy: -161.417 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: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1791.026846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.026846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.026846 (E_RNA) where: Base-Base interactions energy: -1299.137 where: short stacking energy: -520.139 Base-Backbone interact. energy: 2.473 local terms energy: -494.362855 where: bonds (distance) C4'-P energy: -79.665 bonds (distance) P-C4' energy: -109.651 flat angles C4'-P-C4' energy: -105.316 flat angles P-C4'-P energy: -61.454 tors. eta vs tors. theta energy: -138.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2711.122787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.122787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.122787 (E_RNA) where: Base-Base interactions energy: -1985.478 where: short stacking energy: -771.596 Base-Backbone interact. energy: -1.342 local terms energy: -724.302803 where: bonds (distance) C4'-P energy: -134.861 bonds (distance) P-C4' energy: -118.559 flat angles C4'-P-C4' energy: -149.227 flat angles P-C4'-P energy: -97.452 tors. eta vs tors. theta energy: -224.203 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: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2612.718113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.718113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.718113 (E_RNA) where: Base-Base interactions energy: -1901.813 where: short stacking energy: -737.623 Base-Backbone interact. energy: -0.224 local terms energy: -710.681087 where: bonds (distance) C4'-P energy: -124.189 bonds (distance) P-C4' energy: -122.261 flat angles C4'-P-C4' energy: -145.507 flat angles P-C4'-P energy: -108.034 tors. eta vs tors. theta energy: -210.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2544.043365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.043365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.043365 (E_RNA) where: Base-Base interactions energy: -1841.734 where: short stacking energy: -715.742 Base-Backbone interact. energy: -0.893 local terms energy: -701.416289 where: bonds (distance) C4'-P energy: -113.436 bonds (distance) P-C4' energy: -131.449 flat angles C4'-P-C4' energy: -147.549 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -211.028 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: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2516.202023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.202023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.202023 (E_RNA) where: Base-Base interactions energy: -1840.803 where: short stacking energy: -710.175 Base-Backbone interact. energy: -1.097 local terms energy: -674.302186 where: bonds (distance) C4'-P energy: -102.157 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -142.018 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -218.184 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: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2463.841966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.841966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.841966 (E_RNA) where: Base-Base interactions energy: -1788.764 where: short stacking energy: -703.712 Base-Backbone interact. energy: -0.430 local terms energy: -674.647713 where: bonds (distance) C4'-P energy: -111.118 bonds (distance) P-C4' energy: -106.501 flat angles C4'-P-C4' energy: -143.380 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -209.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2342.171275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.171275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.171275 (E_RNA) where: Base-Base interactions energy: -1722.183 where: short stacking energy: -669.791 Base-Backbone interact. energy: 0.015 local terms energy: -620.002687 where: bonds (distance) C4'-P energy: -100.034 bonds (distance) P-C4' energy: -97.796 flat angles C4'-P-C4' energy: -132.515 flat angles P-C4'-P energy: -88.942 tors. eta vs tors. theta energy: -200.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2336.740409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.740409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.740409 (E_RNA) where: Base-Base interactions energy: -1715.705 where: short stacking energy: -666.259 Base-Backbone interact. energy: 0.525 local terms energy: -621.560375 where: bonds (distance) C4'-P energy: -90.988 bonds (distance) P-C4' energy: -107.514 flat angles C4'-P-C4' energy: -132.278 flat angles P-C4'-P energy: -87.853 tors. eta vs tors. theta energy: -202.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2223.388352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.388352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.388352 (E_RNA) where: Base-Base interactions energy: -1596.819 where: short stacking energy: -621.058 Base-Backbone interact. energy: 0.748 local terms energy: -627.317612 where: bonds (distance) C4'-P energy: -95.414 bonds (distance) P-C4' energy: -106.595 flat angles C4'-P-C4' energy: -138.171 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -196.559 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: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1985.334765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.334765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.334765 (E_RNA) where: Base-Base interactions energy: -1443.426 where: short stacking energy: -582.436 Base-Backbone interact. energy: 1.893 local terms energy: -543.802108 where: bonds (distance) C4'-P energy: -79.674 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -115.805 flat angles P-C4'-P energy: -84.395 tors. eta vs tors. theta energy: -160.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1789.053932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.053932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.053932 (E_RNA) where: Base-Base interactions energy: -1293.214 where: short stacking energy: -512.176 Base-Backbone interact. energy: 1.810 local terms energy: -497.650593 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -81.893 flat angles C4'-P-C4' energy: -108.709 flat angles P-C4'-P energy: -74.770 tors. eta vs tors. theta energy: -143.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2709.238590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.238590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.238590 (E_RNA) where: Base-Base interactions energy: -1975.981 where: short stacking energy: -780.401 Base-Backbone interact. energy: -1.410 local terms energy: -731.847167 where: bonds (distance) C4'-P energy: -124.558 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -153.514 flat angles P-C4'-P energy: -102.553 tors. eta vs tors. theta energy: -230.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2619.267618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.267618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.267618 (E_RNA) where: Base-Base interactions energy: -1907.928 where: short stacking energy: -733.330 Base-Backbone interact. energy: -0.015 local terms energy: -711.325267 where: bonds (distance) C4'-P energy: -130.195 bonds (distance) P-C4' energy: -116.064 flat angles C4'-P-C4' energy: -141.317 flat angles P-C4'-P energy: -107.853 tors. eta vs tors. theta energy: -215.896 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: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2543.136790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.136790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.136790 (E_RNA) where: Base-Base interactions energy: -1841.569 where: short stacking energy: -711.464 Base-Backbone interact. energy: 0.142 local terms energy: -701.709593 where: bonds (distance) C4'-P energy: -128.167 bonds (distance) P-C4' energy: -123.108 flat angles C4'-P-C4' energy: -146.174 flat angles P-C4'-P energy: -90.700 tors. eta vs tors. theta energy: -213.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2525.373419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.373419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.373419 (E_RNA) where: Base-Base interactions energy: -1844.682 where: short stacking energy: -718.625 Base-Backbone interact. energy: -1.499 local terms energy: -679.192731 where: bonds (distance) C4'-P energy: -117.151 bonds (distance) P-C4' energy: -115.752 flat angles C4'-P-C4' energy: -128.095 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -210.721 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: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2474.530247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.530247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.530247 (E_RNA) where: Base-Base interactions energy: -1793.510 where: short stacking energy: -699.137 Base-Backbone interact. energy: 0.851 local terms energy: -681.871839 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -107.816 flat angles C4'-P-C4' energy: -144.960 flat angles P-C4'-P energy: -101.078 tors. eta vs tors. theta energy: -204.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2363.899531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.899531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.899531 (E_RNA) where: Base-Base interactions energy: -1714.778 where: short stacking energy: -671.361 Base-Backbone interact. energy: -0.020 local terms energy: -649.101383 where: bonds (distance) C4'-P energy: -116.771 bonds (distance) P-C4' energy: -107.920 flat angles C4'-P-C4' energy: -141.102 flat angles P-C4'-P energy: -81.605 tors. eta vs tors. theta energy: -201.703 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: 323 Temperature: 1.200000 Total energy: -2325.817667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.817667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.817667 (E_RNA) where: Base-Base interactions energy: -1677.811 where: short stacking energy: -659.580 Base-Backbone interact. energy: -1.419 local terms energy: -646.587726 where: bonds (distance) C4'-P energy: -118.270 bonds (distance) P-C4' energy: -113.511 flat angles C4'-P-C4' energy: -130.843 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -195.612 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: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -2252.000025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.000025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.000025 (E_RNA) where: Base-Base interactions energy: -1631.939 where: short stacking energy: -627.497 Base-Backbone interact. energy: -1.008 local terms energy: -619.052530 where: bonds (distance) C4'-P energy: -108.877 bonds (distance) P-C4' energy: -109.665 flat angles C4'-P-C4' energy: -139.322 flat angles P-C4'-P energy: -78.208 tors. eta vs tors. theta energy: -182.980 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: 9, replica: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1923.626048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.626048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.626048 (E_RNA) where: Base-Base interactions energy: -1395.490 where: short stacking energy: -528.179 Base-Backbone interact. energy: -1.725 local terms energy: -526.410686 where: bonds (distance) C4'-P energy: -95.003 bonds (distance) P-C4' energy: -116.033 flat angles C4'-P-C4' energy: -112.757 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: -136.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1827.180883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.180883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.180883 (E_RNA) where: Base-Base interactions energy: -1303.154 where: short stacking energy: -514.576 Base-Backbone interact. energy: -1.537 local terms energy: -522.490098 where: bonds (distance) C4'-P energy: -89.342 bonds (distance) P-C4' energy: -96.374 flat angles C4'-P-C4' energy: -116.879 flat angles P-C4'-P energy: -80.375 tors. eta vs tors. theta energy: -139.521 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: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2730.224528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.224528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.224528 (E_RNA) where: Base-Base interactions energy: -1983.261 where: short stacking energy: -781.367 Base-Backbone interact. energy: -0.481 local terms energy: -746.482395 where: bonds (distance) C4'-P energy: -127.951 bonds (distance) P-C4' energy: -122.882 flat angles C4'-P-C4' energy: -154.568 flat angles P-C4'-P energy: -108.437 tors. eta vs tors. theta energy: -232.644 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: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2614.300349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.300349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.300349 (E_RNA) where: Base-Base interactions energy: -1911.380 where: short stacking energy: -718.651 Base-Backbone interact. energy: -0.752 local terms energy: -702.167616 where: bonds (distance) C4'-P energy: -125.573 bonds (distance) P-C4' energy: -121.141 flat angles C4'-P-C4' energy: -139.586 flat angles P-C4'-P energy: -105.267 tors. eta vs tors. theta energy: -210.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2594.516438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.516438 (E_RNA) where: Base-Base interactions energy: -1903.681 where: short stacking energy: -742.685 Base-Backbone interact. energy: -1.290 local terms energy: -689.545076 where: bonds (distance) C4'-P energy: -114.714 bonds (distance) P-C4' energy: -101.163 flat angles C4'-P-C4' energy: -151.349 flat angles P-C4'-P energy: -103.667 tors. eta vs tors. theta energy: -218.652 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: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2502.692382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.692382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.692382 (E_RNA) where: Base-Base interactions energy: -1845.083 where: short stacking energy: -682.365 Base-Backbone interact. energy: -3.018 local terms energy: -654.592188 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -117.596 flat angles C4'-P-C4' energy: -133.037 flat angles P-C4'-P energy: -83.010 tors. eta vs tors. theta energy: -210.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2467.099671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.099671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.099671 (E_RNA) where: Base-Base interactions energy: -1792.789 where: short stacking energy: -700.364 Base-Backbone interact. energy: -2.721 local terms energy: -671.589683 where: bonds (distance) C4'-P energy: -118.990 bonds (distance) P-C4' energy: -124.370 flat angles C4'-P-C4' energy: -139.274 flat angles P-C4'-P energy: -85.339 tors. eta vs tors. theta energy: -203.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2359.469884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.469884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.469884 (E_RNA) where: Base-Base interactions energy: -1715.080 where: short stacking energy: -691.207 Base-Backbone interact. energy: 1.153 local terms energy: -645.542967 where: bonds (distance) C4'-P energy: -108.277 bonds (distance) P-C4' energy: -97.773 flat angles C4'-P-C4' energy: -130.623 flat angles P-C4'-P energy: -103.125 tors. eta vs tors. theta energy: -205.745 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2313.971128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.971128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.971128 (E_RNA) where: Base-Base interactions energy: -1716.280 where: short stacking energy: -665.640 Base-Backbone interact. energy: -0.760 local terms energy: -596.931714 where: bonds (distance) C4'-P energy: -103.310 bonds (distance) P-C4' energy: -85.700 flat angles C4'-P-C4' energy: -138.520 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -196.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -2244.742512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.742512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.742512 (E_RNA) where: Base-Base interactions energy: -1632.873 where: short stacking energy: -628.680 Base-Backbone interact. energy: -1.170 local terms energy: -610.699610 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -109.458 flat angles C4'-P-C4' energy: -124.986 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -191.014 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: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1899.009263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.009263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.009263 (E_RNA) where: Base-Base interactions energy: -1375.986 where: short stacking energy: -531.680 Base-Backbone interact. energy: 0.068 local terms energy: -523.091596 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -95.785 flat angles C4'-P-C4' energy: -117.425 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -138.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1824.912379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.912379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.912379 (E_RNA) where: Base-Base interactions energy: -1308.991 where: short stacking energy: -495.857 Base-Backbone interact. energy: -1.983 local terms energy: -513.938226 where: bonds (distance) C4'-P energy: -90.890 bonds (distance) P-C4' energy: -89.718 flat angles C4'-P-C4' energy: -117.916 flat angles P-C4'-P energy: -81.433 tors. eta vs tors. theta energy: -133.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2720.581416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.581416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.581416 (E_RNA) where: Base-Base interactions energy: -1988.326 where: short stacking energy: -785.912 Base-Backbone interact. energy: 1.679 local terms energy: -733.934477 where: bonds (distance) C4'-P energy: -118.717 bonds (distance) P-C4' energy: -123.604 flat angles C4'-P-C4' energy: -152.522 flat angles P-C4'-P energy: -105.939 tors. eta vs tors. theta energy: -233.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2613.310174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.310174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.310174 (E_RNA) where: Base-Base interactions energy: -1901.691 where: short stacking energy: -730.956 Base-Backbone interact. energy: -1.849 local terms energy: -709.770282 where: bonds (distance) C4'-P energy: -108.237 bonds (distance) P-C4' energy: -130.446 flat angles C4'-P-C4' energy: -146.285 flat angles P-C4'-P energy: -116.668 tors. eta vs tors. theta energy: -208.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2573.940385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.940385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.940385 (E_RNA) where: Base-Base interactions energy: -1886.497 where: short stacking energy: -740.594 Base-Backbone interact. energy: 0.535 local terms energy: -687.979039 where: bonds (distance) C4'-P energy: -117.332 bonds (distance) P-C4' energy: -123.588 flat angles C4'-P-C4' energy: -143.849 flat angles P-C4'-P energy: -91.384 tors. eta vs tors. theta energy: -211.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2509.669548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.669548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.669548 (E_RNA) where: Base-Base interactions energy: -1865.561 where: short stacking energy: -702.340 Base-Backbone interact. energy: -1.783 local terms energy: -642.326058 where: bonds (distance) C4'-P energy: -116.050 bonds (distance) P-C4' energy: -104.701 flat angles C4'-P-C4' energy: -133.528 flat angles P-C4'-P energy: -90.497 tors. eta vs tors. theta energy: -197.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2473.640971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.640971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.640971 (E_RNA) where: Base-Base interactions energy: -1805.544 where: short stacking energy: -718.320 Base-Backbone interact. energy: -2.022 local terms energy: -666.074274 where: bonds (distance) C4'-P energy: -110.078 bonds (distance) P-C4' energy: -108.187 flat angles C4'-P-C4' energy: -140.856 flat angles P-C4'-P energy: -92.874 tors. eta vs tors. theta energy: -214.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2361.639505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.639505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.639505 (E_RNA) where: Base-Base interactions energy: -1721.427 where: short stacking energy: -648.660 Base-Backbone interact. energy: 2.957 local terms energy: -643.168728 where: bonds (distance) C4'-P energy: -106.588 bonds (distance) P-C4' energy: -103.815 flat angles C4'-P-C4' energy: -130.337 flat angles P-C4'-P energy: -101.916 tors. eta vs tors. theta energy: -200.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2362.012337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.012337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.012337 (E_RNA) where: Base-Base interactions energy: -1713.757 where: short stacking energy: -670.540 Base-Backbone interact. energy: 2.561 local terms energy: -650.816187 where: bonds (distance) C4'-P energy: -115.795 bonds (distance) P-C4' energy: -102.876 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -86.386 tors. eta vs tors. theta energy: -207.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -2241.371885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.371885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.371885 (E_RNA) where: Base-Base interactions energy: -1609.186 where: short stacking energy: -629.441 Base-Backbone interact. energy: 2.078 local terms energy: -634.263535 where: bonds (distance) C4'-P energy: -100.352 bonds (distance) P-C4' energy: -116.541 flat angles C4'-P-C4' energy: -119.496 flat angles P-C4'-P energy: -99.156 tors. eta vs tors. theta energy: -198.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1955.293567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.293567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.293567 (E_RNA) where: Base-Base interactions energy: -1416.313 where: short stacking energy: -545.188 Base-Backbone interact. energy: -2.035 local terms energy: -536.945546 where: bonds (distance) C4'-P energy: -100.444 bonds (distance) P-C4' energy: -109.267 flat angles C4'-P-C4' energy: -104.074 flat angles P-C4'-P energy: -62.103 tors. eta vs tors. theta energy: -161.057 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: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1838.194389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.194389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.194389 (E_RNA) where: Base-Base interactions energy: -1302.819 where: short stacking energy: -516.320 Base-Backbone interact. energy: 2.550 local terms energy: -537.925979 where: bonds (distance) C4'-P energy: -102.909 bonds (distance) P-C4' energy: -102.702 flat angles C4'-P-C4' energy: -126.296 flat angles P-C4'-P energy: -63.592 tors. eta vs tors. theta energy: -142.427 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: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2706.572042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.572042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.572042 (E_RNA) where: Base-Base interactions energy: -1959.327 where: short stacking energy: -777.136 Base-Backbone interact. energy: -0.602 local terms energy: -746.643164 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -132.357 flat angles C4'-P-C4' energy: -147.872 flat angles P-C4'-P energy: -118.087 tors. eta vs tors. theta energy: -229.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2606.232698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.232698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.232698 (E_RNA) where: Base-Base interactions energy: -1908.807 where: short stacking energy: -731.699 Base-Backbone interact. energy: -0.969 local terms energy: -696.457168 where: bonds (distance) C4'-P energy: -121.915 bonds (distance) P-C4' energy: -117.787 flat angles C4'-P-C4' energy: -144.173 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -212.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2528.260535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.260535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.260535 (E_RNA) where: Base-Base interactions energy: -1838.024 where: short stacking energy: -710.314 Base-Backbone interact. energy: -0.498 local terms energy: -689.738537 where: bonds (distance) C4'-P energy: -113.194 bonds (distance) P-C4' energy: -119.299 flat angles C4'-P-C4' energy: -139.226 flat angles P-C4'-P energy: -100.733 tors. eta vs tors. theta energy: -217.286 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: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2536.299905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.299905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.299905 (E_RNA) where: Base-Base interactions energy: -1839.520 where: short stacking energy: -704.747 Base-Backbone interact. energy: 0.761 local terms energy: -697.541176 where: bonds (distance) C4'-P energy: -120.084 bonds (distance) P-C4' energy: -114.892 flat angles C4'-P-C4' energy: -140.774 flat angles P-C4'-P energy: -103.762 tors. eta vs tors. theta energy: -218.029 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: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2447.208387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.208387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.208387 (E_RNA) where: Base-Base interactions energy: -1774.734 where: short stacking energy: -703.284 Base-Backbone interact. energy: -1.757 local terms energy: -670.717176 where: bonds (distance) C4'-P energy: -117.924 bonds (distance) P-C4' energy: -109.360 flat angles C4'-P-C4' energy: -135.000 flat angles P-C4'-P energy: -97.400 tors. eta vs tors. theta energy: -211.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2378.611962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.611962 (E_RNA) where: Base-Base interactions energy: -1724.463 where: short stacking energy: -665.652 Base-Backbone interact. energy: -1.634 local terms energy: -652.515228 where: bonds (distance) C4'-P energy: -113.558 bonds (distance) P-C4' energy: -109.853 flat angles C4'-P-C4' energy: -142.420 flat angles P-C4'-P energy: -86.021 tors. eta vs tors. theta energy: -200.662 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: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2317.236365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.236365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.236365 (E_RNA) where: Base-Base interactions energy: -1685.785 where: short stacking energy: -664.308 Base-Backbone interact. energy: -1.837 local terms energy: -629.614089 where: bonds (distance) C4'-P energy: -108.357 bonds (distance) P-C4' energy: -103.395 flat angles C4'-P-C4' energy: -138.508 flat angles P-C4'-P energy: -83.818 tors. eta vs tors. theta energy: -195.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -2222.899725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.899725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.899725 (E_RNA) where: Base-Base interactions energy: -1629.704 where: short stacking energy: -644.948 Base-Backbone interact. energy: 1.090 local terms energy: -594.285951 where: bonds (distance) C4'-P energy: -93.410 bonds (distance) P-C4' energy: -116.373 flat angles C4'-P-C4' energy: -127.263 flat angles P-C4'-P energy: -68.323 tors. eta vs tors. theta energy: -188.918 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: 9, replica: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1932.415588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.415588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.415588 (E_RNA) where: Base-Base interactions energy: -1354.478 where: short stacking energy: -517.486 Base-Backbone interact. energy: 0.893 local terms energy: -578.829924 where: bonds (distance) C4'-P energy: -120.214 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -126.363 flat angles P-C4'-P energy: -63.319 tors. eta vs tors. theta energy: -156.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1837.500187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.500187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.500187 (E_RNA) where: Base-Base interactions energy: -1319.310 where: short stacking energy: -523.971 Base-Backbone interact. energy: -2.139 local terms energy: -516.050747 where: bonds (distance) C4'-P energy: -98.364 bonds (distance) P-C4' energy: -104.682 flat angles C4'-P-C4' energy: -109.506 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: -144.002 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: 327 Temperature: 0.900000 Total energy: -2696.222298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.222298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.222298 (E_RNA) where: Base-Base interactions energy: -1946.286 where: short stacking energy: -760.933 Base-Backbone interact. energy: 3.171 local terms energy: -753.107554 where: bonds (distance) C4'-P energy: -133.855 bonds (distance) P-C4' energy: -134.033 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -107.529 tors. eta vs tors. theta energy: -224.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2598.252094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.252094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.252094 (E_RNA) where: Base-Base interactions energy: -1891.493 where: short stacking energy: -725.961 Base-Backbone interact. energy: 0.450 local terms energy: -707.208918 where: bonds (distance) C4'-P energy: -126.789 bonds (distance) P-C4' energy: -114.354 flat angles C4'-P-C4' energy: -150.890 flat angles P-C4'-P energy: -106.447 tors. eta vs tors. theta energy: -208.728 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: 327 Temperature: 1.000000 Total energy: -2540.889678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.889678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.889678 (E_RNA) where: Base-Base interactions energy: -1850.648 where: short stacking energy: -710.538 Base-Backbone interact. energy: -0.053 local terms energy: -690.188966 where: bonds (distance) C4'-P energy: -114.057 bonds (distance) P-C4' energy: -120.748 flat angles C4'-P-C4' energy: -140.257 flat angles P-C4'-P energy: -107.513 tors. eta vs tors. theta energy: -207.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2475.053811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.053811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.053811 (E_RNA) where: Base-Base interactions energy: -1795.554 where: short stacking energy: -688.939 Base-Backbone interact. energy: -1.895 local terms energy: -677.604114 where: bonds (distance) C4'-P energy: -111.914 bonds (distance) P-C4' energy: -124.626 flat angles C4'-P-C4' energy: -136.718 flat angles P-C4'-P energy: -95.089 tors. eta vs tors. theta energy: -209.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2487.284608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.284608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.284608 (E_RNA) where: Base-Base interactions energy: -1816.016 where: short stacking energy: -694.757 Base-Backbone interact. energy: 1.203 local terms energy: -672.471337 where: bonds (distance) C4'-P energy: -116.658 bonds (distance) P-C4' energy: -111.893 flat angles C4'-P-C4' energy: -144.328 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -207.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2379.065505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.065505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.065505 (E_RNA) where: Base-Base interactions energy: -1756.897 where: short stacking energy: -667.482 Base-Backbone interact. energy: -1.322 local terms energy: -620.846876 where: bonds (distance) C4'-P energy: -101.172 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -143.290 flat angles P-C4'-P energy: -91.307 tors. eta vs tors. theta energy: -195.434 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2346.242499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.242499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.242499 (E_RNA) where: Base-Base interactions energy: -1689.611 where: short stacking energy: -661.647 Base-Backbone interact. energy: -1.033 local terms energy: -655.597891 where: bonds (distance) C4'-P energy: -117.211 bonds (distance) P-C4' energy: -112.173 flat angles C4'-P-C4' energy: -143.388 flat angles P-C4'-P energy: -82.312 tors. eta vs tors. theta energy: -200.514 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: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -2259.969597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.969597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.969597 (E_RNA) where: Base-Base interactions energy: -1624.704 where: short stacking energy: -615.145 Base-Backbone interact. energy: -0.606 local terms energy: -634.659524 where: bonds (distance) C4'-P energy: -114.130 bonds (distance) P-C4' energy: -112.229 flat angles C4'-P-C4' energy: -127.270 flat angles P-C4'-P energy: -94.219 tors. eta vs tors. theta energy: -186.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1952.502246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.502246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.502246 (E_RNA) where: Base-Base interactions energy: -1458.942 where: short stacking energy: -569.648 Base-Backbone interact. energy: 3.010 local terms energy: -496.569561 where: bonds (distance) C4'-P energy: -60.324 bonds (distance) P-C4' energy: -94.513 flat angles C4'-P-C4' energy: -121.588 flat angles P-C4'-P energy: -68.298 tors. eta vs tors. theta energy: -151.847 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: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1860.382850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.382850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.382850 (E_RNA) where: Base-Base interactions energy: -1301.847 where: short stacking energy: -529.987 Base-Backbone interact. energy: 0.435 local terms energy: -558.970831 where: bonds (distance) C4'-P energy: -98.527 bonds (distance) P-C4' energy: -109.993 flat angles C4'-P-C4' energy: -124.108 flat angles P-C4'-P energy: -72.458 tors. eta vs tors. theta energy: -153.885 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: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2702.977568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.977568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.977568 (E_RNA) where: Base-Base interactions energy: -1970.466 where: short stacking energy: -783.267 Base-Backbone interact. energy: 1.475 local terms energy: -733.987020 where: bonds (distance) C4'-P energy: -122.096 bonds (distance) P-C4' energy: -124.223 flat angles C4'-P-C4' energy: -146.944 flat angles P-C4'-P energy: -112.009 tors. eta vs tors. theta energy: -228.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2608.588988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.588988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.588988 (E_RNA) where: Base-Base interactions energy: -1903.803 where: short stacking energy: -737.412 Base-Backbone interact. energy: 0.852 local terms energy: -705.637494 where: bonds (distance) C4'-P energy: -121.299 bonds (distance) P-C4' energy: -118.280 flat angles C4'-P-C4' energy: -148.330 flat angles P-C4'-P energy: -98.827 tors. eta vs tors. theta energy: -218.902 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2556.753355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.753355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.753355 (E_RNA) where: Base-Base interactions energy: -1884.011 where: short stacking energy: -725.010 Base-Backbone interact. energy: -3.125 local terms energy: -669.617319 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -120.088 flat angles C4'-P-C4' energy: -135.946 flat angles P-C4'-P energy: -78.594 tors. eta vs tors. theta energy: -219.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2522.320092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.320092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.320092 (E_RNA) where: Base-Base interactions energy: -1821.254 where: short stacking energy: -716.094 Base-Backbone interact. energy: 0.085 local terms energy: -701.150651 where: bonds (distance) C4'-P energy: -118.285 bonds (distance) P-C4' energy: -122.298 flat angles C4'-P-C4' energy: -149.117 flat angles P-C4'-P energy: -93.800 tors. eta vs tors. theta energy: -217.650 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: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2475.462638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.462638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.462638 (E_RNA) where: Base-Base interactions energy: -1808.578 where: short stacking energy: -698.961 Base-Backbone interact. energy: -1.901 local terms energy: -664.982983 where: bonds (distance) C4'-P energy: -100.285 bonds (distance) P-C4' energy: -112.347 flat angles C4'-P-C4' energy: -137.112 flat angles P-C4'-P energy: -100.547 tors. eta vs tors. theta energy: -214.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2386.337782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.337782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.337782 (E_RNA) where: Base-Base interactions energy: -1770.770 where: short stacking energy: -683.455 Base-Backbone interact. energy: -0.649 local terms energy: -614.919022 where: bonds (distance) C4'-P energy: -107.038 bonds (distance) P-C4' energy: -99.002 flat angles C4'-P-C4' energy: -133.003 flat angles P-C4'-P energy: -77.694 tors. eta vs tors. theta energy: -198.182 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: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2322.646471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.646471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.646471 (E_RNA) where: Base-Base interactions energy: -1695.532 where: short stacking energy: -656.173 Base-Backbone interact. energy: -2.386 local terms energy: -624.728640 where: bonds (distance) C4'-P energy: -104.963 bonds (distance) P-C4' energy: -117.653 flat angles C4'-P-C4' energy: -131.160 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -184.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -2223.982654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.982654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.982654 (E_RNA) where: Base-Base interactions energy: -1628.503 where: short stacking energy: -627.937 Base-Backbone interact. energy: 1.020 local terms energy: -596.499410 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -99.113 flat angles C4'-P-C4' energy: -136.448 flat angles P-C4'-P energy: -82.428 tors. eta vs tors. theta energy: -182.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1966.613985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.613985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.613985 (E_RNA) where: Base-Base interactions energy: -1414.984 where: short stacking energy: -556.529 Base-Backbone interact. energy: -1.369 local terms energy: -550.260601 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -100.330 flat angles C4'-P-C4' energy: -130.247 flat angles P-C4'-P energy: -73.080 tors. eta vs tors. theta energy: -160.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1836.969438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.969438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.969438 (E_RNA) where: Base-Base interactions energy: -1311.241 where: short stacking energy: -518.234 Base-Backbone interact. energy: -1.035 local terms energy: -524.693220 where: bonds (distance) C4'-P energy: -105.109 bonds (distance) P-C4' energy: -104.006 flat angles C4'-P-C4' energy: -114.592 flat angles P-C4'-P energy: -66.682 tors. eta vs tors. theta energy: -134.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2712.466590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.466590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.466590 (E_RNA) where: Base-Base interactions energy: -1961.643 where: short stacking energy: -758.876 Base-Backbone interact. energy: -1.946 local terms energy: -748.877109 where: bonds (distance) C4'-P energy: -121.311 bonds (distance) P-C4' energy: -127.914 flat angles C4'-P-C4' energy: -158.559 flat angles P-C4'-P energy: -111.984 tors. eta vs tors. theta energy: -229.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2639.808740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.808740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.808740 (E_RNA) where: Base-Base interactions energy: -1937.034 where: short stacking energy: -757.914 Base-Backbone interact. energy: -1.316 local terms energy: -701.458643 where: bonds (distance) C4'-P energy: -122.086 bonds (distance) P-C4' energy: -121.576 flat angles C4'-P-C4' energy: -149.022 flat angles P-C4'-P energy: -95.498 tors. eta vs tors. theta energy: -213.276 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2572.911229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.911229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.911229 (E_RNA) where: Base-Base interactions energy: -1918.605 where: short stacking energy: -735.442 Base-Backbone interact. energy: -2.043 local terms energy: -652.263022 where: bonds (distance) C4'-P energy: -100.880 bonds (distance) P-C4' energy: -97.343 flat angles C4'-P-C4' energy: -147.376 flat angles P-C4'-P energy: -94.030 tors. eta vs tors. theta energy: -212.633 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: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2500.285609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.285609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.285609 (E_RNA) where: Base-Base interactions energy: -1813.924 where: short stacking energy: -710.129 Base-Backbone interact. energy: -1.731 local terms energy: -684.630797 where: bonds (distance) C4'-P energy: -114.935 bonds (distance) P-C4' energy: -113.887 flat angles C4'-P-C4' energy: -148.330 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -210.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2499.734023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.734023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.734023 (E_RNA) where: Base-Base interactions energy: -1846.563 where: short stacking energy: -719.220 Base-Backbone interact. energy: -0.585 local terms energy: -652.586363 where: bonds (distance) C4'-P energy: -109.419 bonds (distance) P-C4' energy: -115.602 flat angles C4'-P-C4' energy: -137.936 flat angles P-C4'-P energy: -74.537 tors. eta vs tors. theta energy: -215.092 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: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2372.981839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.981839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.981839 (E_RNA) where: Base-Base interactions energy: -1745.320 where: short stacking energy: -681.128 Base-Backbone interact. energy: -0.771 local terms energy: -626.890477 where: bonds (distance) C4'-P energy: -91.850 bonds (distance) P-C4' energy: -105.868 flat angles C4'-P-C4' energy: -133.869 flat angles P-C4'-P energy: -98.163 tors. eta vs tors. theta energy: -197.140 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: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2310.356730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.356730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.356730 (E_RNA) where: Base-Base interactions energy: -1689.863 where: short stacking energy: -662.544 Base-Backbone interact. energy: 0.459 local terms energy: -620.952894 where: bonds (distance) C4'-P energy: -103.354 bonds (distance) P-C4' energy: -102.351 flat angles C4'-P-C4' energy: -134.476 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -196.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -2205.906646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.906646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.906646 (E_RNA) where: Base-Base interactions energy: -1616.505 where: short stacking energy: -621.336 Base-Backbone interact. energy: -1.381 local terms energy: -588.020373 where: bonds (distance) C4'-P energy: -92.250 bonds (distance) P-C4' energy: -95.685 flat angles C4'-P-C4' energy: -124.385 flat angles P-C4'-P energy: -89.086 tors. eta vs tors. theta energy: -186.614 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: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -2012.382656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.382656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.382656 (E_RNA) where: Base-Base interactions energy: -1452.713 where: short stacking energy: -583.692 Base-Backbone interact. energy: -1.054 local terms energy: -558.615571 where: bonds (distance) C4'-P energy: -86.418 bonds (distance) P-C4' energy: -106.412 flat angles C4'-P-C4' energy: -124.261 flat angles P-C4'-P energy: -80.907 tors. eta vs tors. theta energy: -160.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1785.322619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.322619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.322619 (E_RNA) where: Base-Base interactions energy: -1272.478 where: short stacking energy: -502.579 Base-Backbone interact. energy: 0.346 local terms energy: -513.190299 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -101.090 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -59.458 tors. eta vs tors. theta energy: -145.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2724.888649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.888649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.888649 (E_RNA) where: Base-Base interactions energy: -1979.525 where: short stacking energy: -771.416 Base-Backbone interact. energy: -1.573 local terms energy: -743.790119 where: bonds (distance) C4'-P energy: -124.589 bonds (distance) P-C4' energy: -126.069 flat angles C4'-P-C4' energy: -154.846 flat angles P-C4'-P energy: -103.246 tors. eta vs tors. theta energy: -235.039 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: 330 Temperature: 0.950000 Total energy: -2620.006225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.006225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.006225 (E_RNA) where: Base-Base interactions energy: -1906.173 where: short stacking energy: -734.635 Base-Backbone interact. energy: 1.484 local terms energy: -715.316896 where: bonds (distance) C4'-P energy: -133.406 bonds (distance) P-C4' energy: -123.638 flat angles C4'-P-C4' energy: -142.162 flat angles P-C4'-P energy: -98.750 tors. eta vs tors. theta energy: -217.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2521.701194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.701194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.701194 (E_RNA) where: Base-Base interactions energy: -1840.451 where: short stacking energy: -718.430 Base-Backbone interact. energy: -1.099 local terms energy: -680.150859 where: bonds (distance) C4'-P energy: -113.901 bonds (distance) P-C4' energy: -116.334 flat angles C4'-P-C4' energy: -140.625 flat angles P-C4'-P energy: -101.380 tors. eta vs tors. theta energy: -207.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2517.726889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.726889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.726889 (E_RNA) where: Base-Base interactions energy: -1842.928 where: short stacking energy: -713.525 Base-Backbone interact. energy: 0.288 local terms energy: -675.086748 where: bonds (distance) C4'-P energy: -112.405 bonds (distance) P-C4' energy: -109.103 flat angles C4'-P-C4' energy: -144.226 flat angles P-C4'-P energy: -96.208 tors. eta vs tors. theta energy: -213.145 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: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2463.677605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.677605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.677605 (E_RNA) where: Base-Base interactions energy: -1786.034 where: short stacking energy: -695.004 Base-Backbone interact. energy: -2.113 local terms energy: -675.530687 where: bonds (distance) C4'-P energy: -110.555 bonds (distance) P-C4' energy: -103.361 flat angles C4'-P-C4' energy: -144.107 flat angles P-C4'-P energy: -100.578 tors. eta vs tors. theta energy: -216.930 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: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2377.306191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.306191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.306191 (E_RNA) where: Base-Base interactions energy: -1722.650 where: short stacking energy: -659.963 Base-Backbone interact. energy: -1.213 local terms energy: -653.443937 where: bonds (distance) C4'-P energy: -114.415 bonds (distance) P-C4' energy: -113.463 flat angles C4'-P-C4' energy: -131.328 flat angles P-C4'-P energy: -91.421 tors. eta vs tors. theta energy: -202.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2315.074295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.074295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.074295 (E_RNA) where: Base-Base interactions energy: -1696.010 where: short stacking energy: -667.273 Base-Backbone interact. energy: -2.424 local terms energy: -616.640855 where: bonds (distance) C4'-P energy: -106.298 bonds (distance) P-C4' energy: -113.940 flat angles C4'-P-C4' energy: -122.027 flat angles P-C4'-P energy: -81.917 tors. eta vs tors. theta energy: -192.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -2249.907243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.907243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.907243 (E_RNA) where: Base-Base interactions energy: -1613.981 where: short stacking energy: -642.891 Base-Backbone interact. energy: -1.560 local terms energy: -634.366214 where: bonds (distance) C4'-P energy: -94.603 bonds (distance) P-C4' energy: -114.291 flat angles C4'-P-C4' energy: -144.360 flat angles P-C4'-P energy: -89.378 tors. eta vs tors. theta energy: -191.734 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: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1979.170148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.170148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.170148 (E_RNA) where: Base-Base interactions energy: -1447.000 where: short stacking energy: -569.362 Base-Backbone interact. energy: 5.218 local terms energy: -537.388721 where: bonds (distance) C4'-P energy: -82.444 bonds (distance) P-C4' energy: -104.100 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: -145.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1802.892794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.892794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.892794 (E_RNA) where: Base-Base interactions energy: -1253.465 where: short stacking energy: -504.825 Base-Backbone interact. energy: -1.627 local terms energy: -547.800430 where: bonds (distance) C4'-P energy: -112.811 bonds (distance) P-C4' energy: -98.280 flat angles C4'-P-C4' energy: -121.813 flat angles P-C4'-P energy: -76.215 tors. eta vs tors. theta energy: -138.682 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: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2711.106535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.106535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.106535 (E_RNA) where: Base-Base interactions energy: -1982.887 where: short stacking energy: -770.146 Base-Backbone interact. energy: -0.271 local terms energy: -727.948337 where: bonds (distance) C4'-P energy: -123.036 bonds (distance) P-C4' energy: -117.357 flat angles C4'-P-C4' energy: -147.922 flat angles P-C4'-P energy: -115.345 tors. eta vs tors. theta energy: -224.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2626.622497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.622497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.622497 (E_RNA) where: Base-Base interactions energy: -1925.905 where: short stacking energy: -745.565 Base-Backbone interact. energy: -2.615 local terms energy: -698.102949 where: bonds (distance) C4'-P energy: -114.537 bonds (distance) P-C4' energy: -117.790 flat angles C4'-P-C4' energy: -145.088 flat angles P-C4'-P energy: -98.043 tors. eta vs tors. theta energy: -222.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2532.902965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.902965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.902965 (E_RNA) where: Base-Base interactions energy: -1846.526 where: short stacking energy: -722.204 Base-Backbone interact. energy: -0.735 local terms energy: -685.642673 where: bonds (distance) C4'-P energy: -119.261 bonds (distance) P-C4' energy: -118.233 flat angles C4'-P-C4' energy: -140.025 flat angles P-C4'-P energy: -102.376 tors. eta vs tors. theta energy: -205.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2515.202375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.202375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.202375 (E_RNA) where: Base-Base interactions energy: -1846.025 where: short stacking energy: -702.512 Base-Backbone interact. energy: -0.840 local terms energy: -668.338031 where: bonds (distance) C4'-P energy: -117.520 bonds (distance) P-C4' energy: -111.891 flat angles C4'-P-C4' energy: -129.613 flat angles P-C4'-P energy: -93.861 tors. eta vs tors. theta energy: -215.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2451.996528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.996528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.996528 (E_RNA) where: Base-Base interactions energy: -1799.429 where: short stacking energy: -689.633 Base-Backbone interact. energy: -1.705 local terms energy: -650.862576 where: bonds (distance) C4'-P energy: -98.125 bonds (distance) P-C4' energy: -105.521 flat angles C4'-P-C4' energy: -137.606 flat angles P-C4'-P energy: -101.977 tors. eta vs tors. theta energy: -207.633 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: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2371.853226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.853226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.853226 (E_RNA) where: Base-Base interactions energy: -1723.870 where: short stacking energy: -671.345 Base-Backbone interact. energy: -1.504 local terms energy: -646.479283 where: bonds (distance) C4'-P energy: -112.765 bonds (distance) P-C4' energy: -100.638 flat angles C4'-P-C4' energy: -133.812 flat angles P-C4'-P energy: -99.820 tors. eta vs tors. theta energy: -199.444 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: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2310.488062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.488062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.488062 (E_RNA) where: Base-Base interactions energy: -1707.620 where: short stacking energy: -644.065 Base-Backbone interact. energy: -1.214 local terms energy: -601.654456 where: bonds (distance) C4'-P energy: -93.320 bonds (distance) P-C4' energy: -114.432 flat angles C4'-P-C4' energy: -125.445 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -194.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -2244.481675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.481675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.481675 (E_RNA) where: Base-Base interactions energy: -1631.783 where: short stacking energy: -643.888 Base-Backbone interact. energy: -0.868 local terms energy: -611.831151 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -117.064 flat angles C4'-P-C4' energy: -130.975 flat angles P-C4'-P energy: -89.636 tors. eta vs tors. theta energy: -197.481 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: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1949.494497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.494497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.494497 (E_RNA) where: Base-Base interactions energy: -1429.599 where: short stacking energy: -535.174 Base-Backbone interact. energy: -1.695 local terms energy: -518.200773 where: bonds (distance) C4'-P energy: -87.855 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -103.433 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: -158.191 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: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1751.449128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.449128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.449128 (E_RNA) where: Base-Base interactions energy: -1267.873 where: short stacking energy: -484.486 Base-Backbone interact. energy: 14.767 local terms energy: -498.343135 where: bonds (distance) C4'-P energy: -99.418 bonds (distance) P-C4' energy: -99.727 flat angles C4'-P-C4' energy: -102.242 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: -128.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2703.180133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.180133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.180133 (E_RNA) where: Base-Base interactions energy: -1971.309 where: short stacking energy: -762.702 Base-Backbone interact. energy: -2.819 local terms energy: -729.052208 where: bonds (distance) C4'-P energy: -120.382 bonds (distance) P-C4' energy: -120.280 flat angles C4'-P-C4' energy: -147.437 flat angles P-C4'-P energy: -115.750 tors. eta vs tors. theta energy: -225.203 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: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2615.652487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.652487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.652487 (E_RNA) where: Base-Base interactions energy: -1902.543 where: short stacking energy: -740.144 Base-Backbone interact. energy: -0.433 local terms energy: -712.676533 where: bonds (distance) C4'-P energy: -107.670 bonds (distance) P-C4' energy: -126.559 flat angles C4'-P-C4' energy: -152.054 flat angles P-C4'-P energy: -106.931 tors. eta vs tors. theta energy: -219.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2538.387598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.387598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.387598 (E_RNA) where: Base-Base interactions energy: -1862.557 where: short stacking energy: -720.530 Base-Backbone interact. energy: -0.655 local terms energy: -675.175743 where: bonds (distance) C4'-P energy: -85.814 bonds (distance) P-C4' energy: -121.113 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -99.881 tors. eta vs tors. theta energy: -219.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2502.093044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.093044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.093044 (E_RNA) where: Base-Base interactions energy: -1841.868 where: short stacking energy: -704.579 Base-Backbone interact. energy: -1.472 local terms energy: -658.753847 where: bonds (distance) C4'-P energy: -105.365 bonds (distance) P-C4' energy: -112.511 flat angles C4'-P-C4' energy: -139.322 flat angles P-C4'-P energy: -96.634 tors. eta vs tors. theta energy: -204.921 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: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2452.136974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.136974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.136974 (E_RNA) where: Base-Base interactions energy: -1787.268 where: short stacking energy: -702.345 Base-Backbone interact. energy: -2.470 local terms energy: -662.399425 where: bonds (distance) C4'-P energy: -98.282 bonds (distance) P-C4' energy: -116.809 flat angles C4'-P-C4' energy: -138.517 flat angles P-C4'-P energy: -103.349 tors. eta vs tors. theta energy: -205.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2333.441427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.441427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.441427 (E_RNA) where: Base-Base interactions energy: -1687.818 where: short stacking energy: -653.222 Base-Backbone interact. energy: -0.813 local terms energy: -644.810273 where: bonds (distance) C4'-P energy: -102.763 bonds (distance) P-C4' energy: -119.088 flat angles C4'-P-C4' energy: -130.823 flat angles P-C4'-P energy: -88.410 tors. eta vs tors. theta energy: -203.726 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: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2343.323308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.323308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.323308 (E_RNA) where: Base-Base interactions energy: -1706.431 where: short stacking energy: -642.544 Base-Backbone interact. energy: -1.169 local terms energy: -635.723403 where: bonds (distance) C4'-P energy: -114.239 bonds (distance) P-C4' energy: -99.720 flat angles C4'-P-C4' energy: -132.607 flat angles P-C4'-P energy: -103.715 tors. eta vs tors. theta energy: -185.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2260.623495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.623495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.623495 (E_RNA) where: Base-Base interactions energy: -1666.883 where: short stacking energy: -654.405 Base-Backbone interact. energy: -1.287 local terms energy: -592.453280 where: bonds (distance) C4'-P energy: -100.276 bonds (distance) P-C4' energy: -91.990 flat angles C4'-P-C4' energy: -125.570 flat angles P-C4'-P energy: -85.795 tors. eta vs tors. theta energy: -188.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1959.174219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.174219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.174219 (E_RNA) where: Base-Base interactions energy: -1435.461 where: short stacking energy: -551.472 Base-Backbone interact. energy: -0.234 local terms energy: -523.479136 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -112.018 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: -149.383 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1764.831045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.831045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.831045 (E_RNA) where: Base-Base interactions energy: -1268.196 where: short stacking energy: -506.492 Base-Backbone interact. energy: -1.630 local terms energy: -495.005550 where: bonds (distance) C4'-P energy: -84.705 bonds (distance) P-C4' energy: -79.418 flat angles C4'-P-C4' energy: -108.830 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -147.144 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: 333 Temperature: 0.900000 Total energy: -2702.078546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.078546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.078546 (E_RNA) where: Base-Base interactions energy: -1947.171 where: short stacking energy: -754.747 Base-Backbone interact. energy: -3.767 local terms energy: -751.139839 where: bonds (distance) C4'-P energy: -124.601 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -159.081 flat angles P-C4'-P energy: -119.820 tors. eta vs tors. theta energy: -227.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2625.976652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.976652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.976652 (E_RNA) where: Base-Base interactions energy: -1923.480 where: short stacking energy: -743.377 Base-Backbone interact. energy: -1.195 local terms energy: -701.301751 where: bonds (distance) C4'-P energy: -119.954 bonds (distance) P-C4' energy: -122.847 flat angles C4'-P-C4' energy: -149.820 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -217.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2600.893830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.893830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.893830 (E_RNA) where: Base-Base interactions energy: -1882.604 where: short stacking energy: -744.341 Base-Backbone interact. energy: -0.342 local terms energy: -717.948344 where: bonds (distance) C4'-P energy: -118.533 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -97.543 tors. eta vs tors. theta energy: -221.990 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: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2515.314367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.314367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.314367 (E_RNA) where: Base-Base interactions energy: -1843.061 where: short stacking energy: -720.056 Base-Backbone interact. energy: -1.595 local terms energy: -670.658322 where: bonds (distance) C4'-P energy: -114.101 bonds (distance) P-C4' energy: -118.868 flat angles C4'-P-C4' energy: -137.204 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -214.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2494.073475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.073475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.073475 (E_RNA) where: Base-Base interactions energy: -1833.248 where: short stacking energy: -720.942 Base-Backbone interact. energy: -1.777 local terms energy: -659.048367 where: bonds (distance) C4'-P energy: -103.337 bonds (distance) P-C4' energy: -102.556 flat angles C4'-P-C4' energy: -147.182 flat angles P-C4'-P energy: -92.502 tors. eta vs tors. theta energy: -213.471 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: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2378.552395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.552395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.552395 (E_RNA) where: Base-Base interactions energy: -1720.086 where: short stacking energy: -669.426 Base-Backbone interact. energy: 0.082 local terms energy: -658.548459 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -123.366 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -92.034 tors. eta vs tors. theta energy: -202.126 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: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2345.747556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.747556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.747556 (E_RNA) where: Base-Base interactions energy: -1686.871 where: short stacking energy: -666.414 Base-Backbone interact. energy: -0.219 local terms energy: -658.657564 where: bonds (distance) C4'-P energy: -105.965 bonds (distance) P-C4' energy: -121.289 flat angles C4'-P-C4' energy: -132.616 flat angles P-C4'-P energy: -93.018 tors. eta vs tors. theta energy: -205.769 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: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -2220.741837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.741837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.741837 (E_RNA) where: Base-Base interactions energy: -1619.114 where: short stacking energy: -627.342 Base-Backbone interact. energy: 0.043 local terms energy: -601.671312 where: bonds (distance) C4'-P energy: -104.969 bonds (distance) P-C4' energy: -103.188 flat angles C4'-P-C4' energy: -130.896 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -184.404 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: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1976.267493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.267493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.267493 (E_RNA) where: Base-Base interactions energy: -1459.632 where: short stacking energy: -558.896 Base-Backbone interact. energy: 1.134 local terms energy: -517.769254 where: bonds (distance) C4'-P energy: -106.222 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -123.849 flat angles P-C4'-P energy: -68.381 tors. eta vs tors. theta energy: -156.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1795.057797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.057797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.057797 (E_RNA) where: Base-Base interactions energy: -1248.349 where: short stacking energy: -492.252 Base-Backbone interact. energy: 0.941 local terms energy: -547.650209 where: bonds (distance) C4'-P energy: -107.563 bonds (distance) P-C4' energy: -88.307 flat angles C4'-P-C4' energy: -136.227 flat angles P-C4'-P energy: -85.097 tors. eta vs tors. theta energy: -130.457 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: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2704.177763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.177763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.177763 (E_RNA) where: Base-Base interactions energy: -1971.371 where: short stacking energy: -764.886 Base-Backbone interact. energy: 2.598 local terms energy: -735.404264 where: bonds (distance) C4'-P energy: -130.504 bonds (distance) P-C4' energy: -115.417 flat angles C4'-P-C4' energy: -147.245 flat angles P-C4'-P energy: -112.698 tors. eta vs tors. theta energy: -229.540 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: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2623.795388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.795388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.795388 (E_RNA) where: Base-Base interactions energy: -1947.206 where: short stacking energy: -743.982 Base-Backbone interact. energy: -1.538 local terms energy: -675.050882 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -110.198 flat angles C4'-P-C4' energy: -141.079 flat angles P-C4'-P energy: -91.881 tors. eta vs tors. theta energy: -220.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2559.796487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.796487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.796487 (E_RNA) where: Base-Base interactions energy: -1853.759 where: short stacking energy: -741.098 Base-Backbone interact. energy: -2.581 local terms energy: -703.455837 where: bonds (distance) C4'-P energy: -111.643 bonds (distance) P-C4' energy: -128.214 flat angles C4'-P-C4' energy: -150.606 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -216.114 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: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2531.261785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.261785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.261785 (E_RNA) where: Base-Base interactions energy: -1843.703 where: short stacking energy: -705.594 Base-Backbone interact. energy: -0.978 local terms energy: -686.581510 where: bonds (distance) C4'-P energy: -120.385 bonds (distance) P-C4' energy: -114.595 flat angles C4'-P-C4' energy: -141.633 flat angles P-C4'-P energy: -95.716 tors. eta vs tors. theta energy: -214.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2464.126857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.126857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.126857 (E_RNA) where: Base-Base interactions energy: -1802.051 where: short stacking energy: -686.763 Base-Backbone interact. energy: -0.466 local terms energy: -661.609520 where: bonds (distance) C4'-P energy: -107.691 bonds (distance) P-C4' energy: -115.973 flat angles C4'-P-C4' energy: -136.274 flat angles P-C4'-P energy: -94.440 tors. eta vs tors. theta energy: -207.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2356.038687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.038687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.038687 (E_RNA) where: Base-Base interactions energy: -1713.555 where: short stacking energy: -672.117 Base-Backbone interact. energy: -1.350 local terms energy: -641.133003 where: bonds (distance) C4'-P energy: -95.156 bonds (distance) P-C4' energy: -107.050 flat angles C4'-P-C4' energy: -134.345 flat angles P-C4'-P energy: -100.850 tors. eta vs tors. theta energy: -203.732 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: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2319.647801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.647801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.647801 (E_RNA) where: Base-Base interactions energy: -1681.681 where: short stacking energy: -655.946 Base-Backbone interact. energy: -1.669 local terms energy: -636.298356 where: bonds (distance) C4'-P energy: -117.196 bonds (distance) P-C4' energy: -92.440 flat angles C4'-P-C4' energy: -136.191 flat angles P-C4'-P energy: -90.285 tors. eta vs tors. theta energy: -200.187 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: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2272.031709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.031709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.031709 (E_RNA) where: Base-Base interactions energy: -1667.931 where: short stacking energy: -664.689 Base-Backbone interact. energy: -1.351 local terms energy: -602.749758 where: bonds (distance) C4'-P energy: -93.507 bonds (distance) P-C4' energy: -91.084 flat angles C4'-P-C4' energy: -126.305 flat angles P-C4'-P energy: -92.615 tors. eta vs tors. theta energy: -199.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1942.576227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.576227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.576227 (E_RNA) where: Base-Base interactions energy: -1396.939 where: short stacking energy: -544.825 Base-Backbone interact. energy: 1.938 local terms energy: -547.575372 where: bonds (distance) C4'-P energy: -103.376 bonds (distance) P-C4' energy: -102.629 flat angles C4'-P-C4' energy: -119.515 flat angles P-C4'-P energy: -73.207 tors. eta vs tors. theta energy: -148.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1787.428098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.428098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.428098 (E_RNA) where: Base-Base interactions energy: -1277.034 where: short stacking energy: -505.806 Base-Backbone interact. energy: -1.156 local terms energy: -509.237443 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -91.058 flat angles C4'-P-C4' energy: -130.680 flat angles P-C4'-P energy: -70.361 tors. eta vs tors. theta energy: -141.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2709.839099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.839099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.839099 (E_RNA) where: Base-Base interactions energy: -1949.734 where: short stacking energy: -763.915 Base-Backbone interact. energy: -0.705 local terms energy: -759.400610 where: bonds (distance) C4'-P energy: -133.456 bonds (distance) P-C4' energy: -130.170 flat angles C4'-P-C4' energy: -147.712 flat angles P-C4'-P energy: -114.677 tors. eta vs tors. theta energy: -233.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2667.682391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.682391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.682391 (E_RNA) where: Base-Base interactions energy: -1945.560 where: short stacking energy: -756.101 Base-Backbone interact. energy: -0.357 local terms energy: -721.764937 where: bonds (distance) C4'-P energy: -140.814 bonds (distance) P-C4' energy: -114.735 flat angles C4'-P-C4' energy: -152.046 flat angles P-C4'-P energy: -91.158 tors. eta vs tors. theta energy: -223.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2552.220223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.220223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.220223 (E_RNA) where: Base-Base interactions energy: -1854.193 where: short stacking energy: -724.859 Base-Backbone interact. energy: -1.918 local terms energy: -696.109459 where: bonds (distance) C4'-P energy: -101.670 bonds (distance) P-C4' energy: -129.692 flat angles C4'-P-C4' energy: -145.032 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -219.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2528.544843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.544843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.544843 (E_RNA) where: Base-Base interactions energy: -1862.848 where: short stacking energy: -730.473 Base-Backbone interact. energy: 1.343 local terms energy: -667.040615 where: bonds (distance) C4'-P energy: -106.327 bonds (distance) P-C4' energy: -110.396 flat angles C4'-P-C4' energy: -147.065 flat angles P-C4'-P energy: -85.634 tors. eta vs tors. theta energy: -217.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2500.910625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.910625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.910625 (E_RNA) where: Base-Base interactions energy: -1843.903 where: short stacking energy: -732.886 Base-Backbone interact. energy: -1.423 local terms energy: -655.584199 where: bonds (distance) C4'-P energy: -101.862 bonds (distance) P-C4' energy: -107.338 flat angles C4'-P-C4' energy: -139.125 flat angles P-C4'-P energy: -92.326 tors. eta vs tors. theta energy: -214.934 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: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2378.014941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.014941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.014941 (E_RNA) where: Base-Base interactions energy: -1715.479 where: short stacking energy: -649.826 Base-Backbone interact. energy: -1.241 local terms energy: -661.295078 where: bonds (distance) C4'-P energy: -99.665 bonds (distance) P-C4' energy: -110.411 flat angles C4'-P-C4' energy: -150.574 flat angles P-C4'-P energy: -97.942 tors. eta vs tors. theta energy: -202.703 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: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2346.640341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.640341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.640341 (E_RNA) where: Base-Base interactions energy: -1684.570 where: short stacking energy: -657.681 Base-Backbone interact. energy: -1.417 local terms energy: -660.653950 where: bonds (distance) C4'-P energy: -109.025 bonds (distance) P-C4' energy: -99.687 flat angles C4'-P-C4' energy: -133.649 flat angles P-C4'-P energy: -108.566 tors. eta vs tors. theta energy: -209.727 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: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -2226.974407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.974407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.974407 (E_RNA) where: Base-Base interactions energy: -1631.870 where: short stacking energy: -617.933 Base-Backbone interact. energy: 1.495 local terms energy: -596.599225 where: bonds (distance) C4'-P energy: -102.220 bonds (distance) P-C4' energy: -86.264 flat angles C4'-P-C4' energy: -133.361 flat angles P-C4'-P energy: -74.607 tors. eta vs tors. theta energy: -200.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -2016.140174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.140174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.140174 (E_RNA) where: Base-Base interactions energy: -1464.936 where: short stacking energy: -565.092 Base-Backbone interact. energy: -0.685 local terms energy: -550.518739 where: bonds (distance) C4'-P energy: -96.130 bonds (distance) P-C4' energy: -95.516 flat angles C4'-P-C4' energy: -119.133 flat angles P-C4'-P energy: -83.618 tors. eta vs tors. theta energy: -156.122 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: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1804.779240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.779240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.779240 (E_RNA) where: Base-Base interactions energy: -1285.838 where: short stacking energy: -521.873 Base-Backbone interact. energy: 1.596 local terms energy: -520.537628 where: bonds (distance) C4'-P energy: -92.434 bonds (distance) P-C4' energy: -85.842 flat angles C4'-P-C4' energy: -115.457 flat angles P-C4'-P energy: -81.100 tors. eta vs tors. theta energy: -145.704 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: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2722.659056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.659056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.659056 (E_RNA) where: Base-Base interactions energy: -1978.472 where: short stacking energy: -783.322 Base-Backbone interact. energy: -1.313 local terms energy: -742.873919 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -121.580 flat angles C4'-P-C4' energy: -155.501 flat angles P-C4'-P energy: -109.342 tors. eta vs tors. theta energy: -232.536 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: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2629.059665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.059665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.059665 (E_RNA) where: Base-Base interactions energy: -1913.557 where: short stacking energy: -734.351 Base-Backbone interact. energy: -0.496 local terms energy: -715.007227 where: bonds (distance) C4'-P energy: -131.973 bonds (distance) P-C4' energy: -116.696 flat angles C4'-P-C4' energy: -149.010 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -220.488 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: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2574.860459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.860459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.860459 (E_RNA) where: Base-Base interactions energy: -1856.075 where: short stacking energy: -721.954 Base-Backbone interact. energy: -2.132 local terms energy: -716.653902 where: bonds (distance) C4'-P energy: -121.727 bonds (distance) P-C4' energy: -123.514 flat angles C4'-P-C4' energy: -148.255 flat angles P-C4'-P energy: -106.186 tors. eta vs tors. theta energy: -216.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2494.695397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.695397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.695397 (E_RNA) where: Base-Base interactions energy: -1821.868 where: short stacking energy: -699.545 Base-Backbone interact. energy: 0.522 local terms energy: -673.350363 where: bonds (distance) C4'-P energy: -109.049 bonds (distance) P-C4' energy: -130.234 flat angles C4'-P-C4' energy: -134.727 flat angles P-C4'-P energy: -79.507 tors. eta vs tors. theta energy: -219.834 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: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2502.758715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.758715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.758715 (E_RNA) where: Base-Base interactions energy: -1828.596 where: short stacking energy: -715.597 Base-Backbone interact. energy: -1.124 local terms energy: -673.038762 where: bonds (distance) C4'-P energy: -100.336 bonds (distance) P-C4' energy: -111.546 flat angles C4'-P-C4' energy: -148.790 flat angles P-C4'-P energy: -95.442 tors. eta vs tors. theta energy: -216.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2346.793985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.793985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.793985 (E_RNA) where: Base-Base interactions energy: -1719.447 where: short stacking energy: -670.988 Base-Backbone interact. energy: -0.589 local terms energy: -626.757682 where: bonds (distance) C4'-P energy: -95.883 bonds (distance) P-C4' energy: -108.250 flat angles C4'-P-C4' energy: -141.455 flat angles P-C4'-P energy: -81.206 tors. eta vs tors. theta energy: -199.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2348.762445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.762445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.762445 (E_RNA) where: Base-Base interactions energy: -1710.692 where: short stacking energy: -665.309 Base-Backbone interact. energy: -1.036 local terms energy: -637.034238 where: bonds (distance) C4'-P energy: -97.256 bonds (distance) P-C4' energy: -107.569 flat angles C4'-P-C4' energy: -140.956 flat angles P-C4'-P energy: -93.330 tors. eta vs tors. theta energy: -197.923 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: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -2275.821926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.821926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.821926 (E_RNA) where: Base-Base interactions energy: -1651.058 where: short stacking energy: -634.641 Base-Backbone interact. energy: 2.061 local terms energy: -626.824528 where: bonds (distance) C4'-P energy: -108.114 bonds (distance) P-C4' energy: -103.137 flat angles C4'-P-C4' energy: -140.095 flat angles P-C4'-P energy: -76.387 tors. eta vs tors. theta energy: -199.092 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: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1994.368781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.368781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.368781 (E_RNA) where: Base-Base interactions energy: -1474.660 where: short stacking energy: -556.925 Base-Backbone interact. energy: -1.860 local terms energy: -517.848703 where: bonds (distance) C4'-P energy: -95.341 bonds (distance) P-C4' energy: -90.857 flat angles C4'-P-C4' energy: -97.751 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -158.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1749.113139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.113139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.113139 (E_RNA) where: Base-Base interactions energy: -1233.955 where: short stacking energy: -493.771 Base-Backbone interact. energy: -1.622 local terms energy: -513.536158 where: bonds (distance) C4'-P energy: -84.375 bonds (distance) P-C4' energy: -106.435 flat angles C4'-P-C4' energy: -117.570 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -140.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2721.725754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.725754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.725754 (E_RNA) where: Base-Base interactions energy: -1988.191 where: short stacking energy: -763.731 Base-Backbone interact. energy: -0.758 local terms energy: -732.776899 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -122.915 flat angles C4'-P-C4' energy: -147.877 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -231.955 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: 337 Temperature: 0.950000 Total energy: -2635.992286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.992286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.992286 (E_RNA) where: Base-Base interactions energy: -1946.729 where: short stacking energy: -756.207 Base-Backbone interact. energy: 0.553 local terms energy: -689.816791 where: bonds (distance) C4'-P energy: -104.099 bonds (distance) P-C4' energy: -122.571 flat angles C4'-P-C4' energy: -149.416 flat angles P-C4'-P energy: -91.040 tors. eta vs tors. theta energy: -222.691 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: 3, replica: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2557.234410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.234410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.234410 (E_RNA) where: Base-Base interactions energy: -1860.989 where: short stacking energy: -726.809 Base-Backbone interact. energy: -0.365 local terms energy: -695.880656 where: bonds (distance) C4'-P energy: -107.908 bonds (distance) P-C4' energy: -126.985 flat angles C4'-P-C4' energy: -144.322 flat angles P-C4'-P energy: -101.150 tors. eta vs tors. theta energy: -215.517 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: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2530.998636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.998636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.998636 (E_RNA) where: Base-Base interactions energy: -1846.061 where: short stacking energy: -699.440 Base-Backbone interact. energy: -1.602 local terms energy: -683.335521 where: bonds (distance) C4'-P energy: -124.001 bonds (distance) P-C4' energy: -119.014 flat angles C4'-P-C4' energy: -134.810 flat angles P-C4'-P energy: -89.829 tors. eta vs tors. theta energy: -215.681 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: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2477.231805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.231805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.231805 (E_RNA) where: Base-Base interactions energy: -1820.021 where: short stacking energy: -692.026 Base-Backbone interact. energy: 1.221 local terms energy: -658.431686 where: bonds (distance) C4'-P energy: -105.789 bonds (distance) P-C4' energy: -114.321 flat angles C4'-P-C4' energy: -141.149 flat angles P-C4'-P energy: -83.800 tors. eta vs tors. theta energy: -213.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2406.355733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.355733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.355733 (E_RNA) where: Base-Base interactions energy: -1747.639 where: short stacking energy: -661.489 Base-Backbone interact. energy: -1.328 local terms energy: -657.388586 where: bonds (distance) C4'-P energy: -109.643 bonds (distance) P-C4' energy: -100.914 flat angles C4'-P-C4' energy: -145.264 flat angles P-C4'-P energy: -103.717 tors. eta vs tors. theta energy: -197.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2308.586159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.586159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.586159 (E_RNA) where: Base-Base interactions energy: -1689.191 where: short stacking energy: -659.961 Base-Backbone interact. energy: -1.421 local terms energy: -617.974560 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -100.224 flat angles C4'-P-C4' energy: -141.596 flat angles P-C4'-P energy: -79.086 tors. eta vs tors. theta energy: -193.492 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: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2288.910310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.910310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.910310 (E_RNA) where: Base-Base interactions energy: -1666.503 where: short stacking energy: -630.718 Base-Backbone interact. energy: 0.180 local terms energy: -622.587621 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -99.838 tors. eta vs tors. theta energy: -194.792 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: 337 Temperature: 1.300000 Total energy: -1978.783767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.783767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.783767 (E_RNA) where: Base-Base interactions energy: -1448.455 where: short stacking energy: -540.644 Base-Backbone interact. energy: 1.948 local terms energy: -532.276546 where: bonds (distance) C4'-P energy: -89.640 bonds (distance) P-C4' energy: -107.064 flat angles C4'-P-C4' energy: -116.105 flat angles P-C4'-P energy: -69.496 tors. eta vs tors. theta energy: -149.971 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: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1795.957968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.957968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.957968 (E_RNA) where: Base-Base interactions energy: -1260.669 where: short stacking energy: -497.654 Base-Backbone interact. energy: -1.216 local terms energy: -534.072797 where: bonds (distance) C4'-P energy: -104.247 bonds (distance) P-C4' energy: -99.552 flat angles C4'-P-C4' energy: -110.343 flat angles P-C4'-P energy: -77.357 tors. eta vs tors. theta energy: -142.574 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: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2736.264604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.264604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.264604 (E_RNA) where: Base-Base interactions energy: -1982.954 where: short stacking energy: -766.330 Base-Backbone interact. energy: 4.205 local terms energy: -757.514910 where: bonds (distance) C4'-P energy: -139.320 bonds (distance) P-C4' energy: -120.478 flat angles C4'-P-C4' energy: -157.961 flat angles P-C4'-P energy: -118.600 tors. eta vs tors. theta energy: -221.155 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: 2, replica: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2623.604339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.604339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.604339 (E_RNA) where: Base-Base interactions energy: -1914.855 where: short stacking energy: -732.599 Base-Backbone interact. energy: -2.083 local terms energy: -706.665768 where: bonds (distance) C4'-P energy: -115.346 bonds (distance) P-C4' energy: -117.796 flat angles C4'-P-C4' energy: -153.033 flat angles P-C4'-P energy: -102.361 tors. eta vs tors. theta energy: -218.130 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: 7 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2572.471487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.471487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.471487 (E_RNA) where: Base-Base interactions energy: -1870.503 where: short stacking energy: -742.998 Base-Backbone interact. energy: 0.277 local terms energy: -702.244998 where: bonds (distance) C4'-P energy: -108.321 bonds (distance) P-C4' energy: -128.118 flat angles C4'-P-C4' energy: -150.674 flat angles P-C4'-P energy: -100.763 tors. eta vs tors. theta energy: -214.368 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: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2506.041688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.041688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.041688 (E_RNA) where: Base-Base interactions energy: -1823.566 where: short stacking energy: -721.928 Base-Backbone interact. energy: -0.383 local terms energy: -682.093401 where: bonds (distance) C4'-P energy: -104.768 bonds (distance) P-C4' energy: -110.697 flat angles C4'-P-C4' energy: -142.762 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -219.487 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: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2418.794860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.794860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.794860 (E_RNA) where: Base-Base interactions energy: -1767.981 where: short stacking energy: -687.358 Base-Backbone interact. energy: -0.510 local terms energy: -650.304250 where: bonds (distance) C4'-P energy: -108.145 bonds (distance) P-C4' energy: -105.981 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -103.612 tors. eta vs tors. theta energy: -196.271 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: 338 Temperature: 1.150000 Total energy: -2494.423757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.423757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.423757 (E_RNA) where: Base-Base interactions energy: -1848.371 where: short stacking energy: -703.152 Base-Backbone interact. energy: -1.367 local terms energy: -644.686541 where: bonds (distance) C4'-P energy: -107.131 bonds (distance) P-C4' energy: -98.715 flat angles C4'-P-C4' energy: -138.091 flat angles P-C4'-P energy: -92.634 tors. eta vs tors. theta energy: -208.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2362.249524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.249524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.249524 (E_RNA) where: Base-Base interactions energy: -1726.455 where: short stacking energy: -661.028 Base-Backbone interact. energy: 5.702 local terms energy: -641.496225 where: bonds (distance) C4'-P energy: -102.474 bonds (distance) P-C4' energy: -106.564 flat angles C4'-P-C4' energy: -135.379 flat angles P-C4'-P energy: -94.892 tors. eta vs tors. theta energy: -202.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2258.746718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.746718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.746718 (E_RNA) where: Base-Base interactions energy: -1665.047 where: short stacking energy: -657.618 Base-Backbone interact. energy: 1.177 local terms energy: -594.876667 where: bonds (distance) C4'-P energy: -86.654 bonds (distance) P-C4' energy: -102.114 flat angles C4'-P-C4' energy: -138.189 flat angles P-C4'-P energy: -77.202 tors. eta vs tors. theta energy: -190.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -2078.052404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.052404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.052404 (E_RNA) where: Base-Base interactions energy: -1509.754 where: short stacking energy: -581.133 Base-Backbone interact. energy: -0.717 local terms energy: -567.581830 where: bonds (distance) C4'-P energy: -99.995 bonds (distance) P-C4' energy: -100.833 flat angles C4'-P-C4' energy: -117.013 flat angles P-C4'-P energy: -70.436 tors. eta vs tors. theta energy: -179.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1754.258326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.258326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.258326 (E_RNA) where: Base-Base interactions energy: -1259.806 where: short stacking energy: -496.114 Base-Backbone interact. energy: 1.545 local terms energy: -495.997254 where: bonds (distance) C4'-P energy: -75.652 bonds (distance) P-C4' energy: -83.843 flat angles C4'-P-C4' energy: -116.894 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -143.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2702.801719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.801719 (E_RNA) where: Base-Base interactions energy: -1966.064 where: short stacking energy: -768.427 Base-Backbone interact. energy: -2.532 local terms energy: -734.204928 where: bonds (distance) C4'-P energy: -119.233 bonds (distance) P-C4' energy: -119.056 flat angles C4'-P-C4' energy: -152.920 flat angles P-C4'-P energy: -119.779 tors. eta vs tors. theta energy: -223.217 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: 339 Temperature: 0.950000 Total energy: -2630.362423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.362423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.362423 (E_RNA) where: Base-Base interactions energy: -1901.726 where: short stacking energy: -733.768 Base-Backbone interact. energy: 1.426 local terms energy: -730.062316 where: bonds (distance) C4'-P energy: -127.351 bonds (distance) P-C4' energy: -132.334 flat angles C4'-P-C4' energy: -149.723 flat angles P-C4'-P energy: -104.876 tors. eta vs tors. theta energy: -215.778 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: 3, replica: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2591.538810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.538810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.538810 (E_RNA) where: Base-Base interactions energy: -1854.504 where: short stacking energy: -734.881 Base-Backbone interact. energy: -0.207 local terms energy: -736.827857 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -148.499 flat angles P-C4'-P energy: -101.722 tors. eta vs tors. theta energy: -224.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2489.731188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.731188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.731188 (E_RNA) where: Base-Base interactions energy: -1797.158 where: short stacking energy: -711.179 Base-Backbone interact. energy: -0.803 local terms energy: -691.770757 where: bonds (distance) C4'-P energy: -117.915 bonds (distance) P-C4' energy: -127.161 flat angles C4'-P-C4' energy: -145.713 flat angles P-C4'-P energy: -90.697 tors. eta vs tors. theta energy: -210.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2403.106933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.106933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.106933 (E_RNA) where: Base-Base interactions energy: -1773.115 where: short stacking energy: -683.158 Base-Backbone interact. energy: -0.421 local terms energy: -629.570012 where: bonds (distance) C4'-P energy: -95.402 bonds (distance) P-C4' energy: -97.423 flat angles C4'-P-C4' energy: -146.511 flat angles P-C4'-P energy: -91.227 tors. eta vs tors. theta energy: -199.007 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: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2465.828963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.828963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.828963 (E_RNA) where: Base-Base interactions energy: -1814.030 where: short stacking energy: -709.810 Base-Backbone interact. energy: 0.405 local terms energy: -652.204398 where: bonds (distance) C4'-P energy: -91.417 bonds (distance) P-C4' energy: -117.639 flat angles C4'-P-C4' energy: -139.281 flat angles P-C4'-P energy: -94.312 tors. eta vs tors. theta energy: -209.556 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: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2337.300107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.300107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.300107 (E_RNA) where: Base-Base interactions energy: -1683.655 where: short stacking energy: -643.517 Base-Backbone interact. energy: -1.259 local terms energy: -652.385943 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -120.344 flat angles C4'-P-C4' energy: -137.980 flat angles P-C4'-P energy: -93.364 tors. eta vs tors. theta energy: -203.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -2271.560583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.560583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.560583 (E_RNA) where: Base-Base interactions energy: -1614.818 where: short stacking energy: -625.231 Base-Backbone interact. energy: -1.365 local terms energy: -655.377996 where: bonds (distance) C4'-P energy: -105.458 bonds (distance) P-C4' energy: -125.517 flat angles C4'-P-C4' energy: -128.444 flat angles P-C4'-P energy: -98.303 tors. eta vs tors. theta energy: -197.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -2077.075465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.075465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.075465 (E_RNA) where: Base-Base interactions energy: -1528.727 where: short stacking energy: -585.059 Base-Backbone interact. energy: 0.699 local terms energy: -549.047285 where: bonds (distance) C4'-P energy: -102.085 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -122.114 flat angles P-C4'-P energy: -79.057 tors. eta vs tors. theta energy: -159.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1749.877596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.877596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.877596 (E_RNA) where: Base-Base interactions energy: -1243.153 where: short stacking energy: -490.376 Base-Backbone interact. energy: -4.084 local terms energy: -502.641080 where: bonds (distance) C4'-P energy: -85.979 bonds (distance) P-C4' energy: -82.559 flat angles C4'-P-C4' energy: -117.193 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -140.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2702.764941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.764941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.764941 (E_RNA) where: Base-Base interactions energy: -1960.852 where: short stacking energy: -769.309 Base-Backbone interact. energy: 0.284 local terms energy: -742.197373 where: bonds (distance) C4'-P energy: -127.341 bonds (distance) P-C4' energy: -118.060 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -109.386 tors. eta vs tors. theta energy: -226.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2622.114220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.114220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.114220 (E_RNA) where: Base-Base interactions energy: -1904.177 where: short stacking energy: -736.342 Base-Backbone interact. energy: -1.019 local terms energy: -716.918091 where: bonds (distance) C4'-P energy: -121.596 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -148.705 flat angles P-C4'-P energy: -96.982 tors. eta vs tors. theta energy: -225.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2564.688084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.688084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.688084 (E_RNA) where: Base-Base interactions energy: -1877.170 where: short stacking energy: -730.955 Base-Backbone interact. energy: -0.809 local terms energy: -686.708877 where: bonds (distance) C4'-P energy: -108.252 bonds (distance) P-C4' energy: -111.635 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -100.867 tors. eta vs tors. theta energy: -219.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2503.528811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.528811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.528811 (E_RNA) where: Base-Base interactions energy: -1831.324 where: short stacking energy: -719.014 Base-Backbone interact. energy: -0.923 local terms energy: -671.282148 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -122.605 flat angles C4'-P-C4' energy: -145.376 flat angles P-C4'-P energy: -92.554 tors. eta vs tors. theta energy: -209.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2487.513770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.513770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.513770 (E_RNA) where: Base-Base interactions energy: -1822.770 where: short stacking energy: -707.122 Base-Backbone interact. energy: 1.260 local terms energy: -666.003848 where: bonds (distance) C4'-P energy: -123.447 bonds (distance) P-C4' energy: -113.123 flat angles C4'-P-C4' energy: -139.358 flat angles P-C4'-P energy: -89.634 tors. eta vs tors. theta energy: -200.442 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: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2393.208681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.208681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.208681 (E_RNA) where: Base-Base interactions energy: -1742.742 where: short stacking energy: -678.292 Base-Backbone interact. energy: -1.795 local terms energy: -648.671121 where: bonds (distance) C4'-P energy: -119.715 bonds (distance) P-C4' energy: -103.537 flat angles C4'-P-C4' energy: -141.144 flat angles P-C4'-P energy: -83.030 tors. eta vs tors. theta energy: -201.246 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: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2326.806076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.806076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.806076 (E_RNA) where: Base-Base interactions energy: -1702.190 where: short stacking energy: -653.086 Base-Backbone interact. energy: -0.617 local terms energy: -623.999717 where: bonds (distance) C4'-P energy: -92.997 bonds (distance) P-C4' energy: -107.166 flat angles C4'-P-C4' energy: -135.217 flat angles P-C4'-P energy: -87.121 tors. eta vs tors. theta energy: -201.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -2295.349502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.349502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.349502 (E_RNA) where: Base-Base interactions energy: -1695.055 where: short stacking energy: -648.959 Base-Backbone interact. energy: 1.591 local terms energy: -601.885605 where: bonds (distance) C4'-P energy: -92.008 bonds (distance) P-C4' energy: -98.472 flat angles C4'-P-C4' energy: -139.417 flat angles P-C4'-P energy: -80.273 tors. eta vs tors. theta energy: -191.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -2041.577317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.577317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.577317 (E_RNA) where: Base-Base interactions energy: -1488.523 where: short stacking energy: -563.381 Base-Backbone interact. energy: 5.088 local terms energy: -558.142120 where: bonds (distance) C4'-P energy: -91.337 bonds (distance) P-C4' energy: -101.591 flat angles C4'-P-C4' energy: -115.150 flat angles P-C4'-P energy: -77.733 tors. eta vs tors. theta energy: -172.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1744.507684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.507684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.507684 (E_RNA) where: Base-Base interactions energy: -1228.819 where: short stacking energy: -486.625 Base-Backbone interact. energy: 2.237 local terms energy: -517.926057 where: bonds (distance) C4'-P energy: -98.687 bonds (distance) P-C4' energy: -97.423 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -68.102 tors. eta vs tors. theta energy: -136.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2711.328753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.328753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.328753 (E_RNA) where: Base-Base interactions energy: -1966.136 where: short stacking energy: -761.915 Base-Backbone interact. energy: -2.776 local terms energy: -742.417498 where: bonds (distance) C4'-P energy: -128.315 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -154.186 flat angles P-C4'-P energy: -114.962 tors. eta vs tors. theta energy: -224.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2661.599963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.599963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.599963 (E_RNA) where: Base-Base interactions energy: -1963.944 where: short stacking energy: -758.283 Base-Backbone interact. energy: 6.973 local terms energy: -704.628705 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -126.472 flat angles C4'-P-C4' energy: -144.255 flat angles P-C4'-P energy: -106.238 tors. eta vs tors. theta energy: -219.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2562.822004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.822004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.822004 (E_RNA) where: Base-Base interactions energy: -1884.728 where: short stacking energy: -729.414 Base-Backbone interact. energy: -0.462 local terms energy: -677.631478 where: bonds (distance) C4'-P energy: -124.518 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -129.470 flat angles P-C4'-P energy: -94.526 tors. eta vs tors. theta energy: -213.460 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: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2568.875395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.875395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.875395 (E_RNA) where: Base-Base interactions energy: -1869.973 where: short stacking energy: -714.901 Base-Backbone interact. energy: -0.743 local terms energy: -698.159530 where: bonds (distance) C4'-P energy: -119.347 bonds (distance) P-C4' energy: -117.666 flat angles C4'-P-C4' energy: -147.439 flat angles P-C4'-P energy: -104.054 tors. eta vs tors. theta energy: -209.654 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: 341 Temperature: 1.100000 Total energy: -2455.034142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.034142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.034142 (E_RNA) where: Base-Base interactions energy: -1776.923 where: short stacking energy: -684.514 Base-Backbone interact. energy: -1.129 local terms energy: -676.981920 where: bonds (distance) C4'-P energy: -123.592 bonds (distance) P-C4' energy: -118.131 flat angles C4'-P-C4' energy: -135.900 flat angles P-C4'-P energy: -88.539 tors. eta vs tors. theta energy: -210.819 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2383.884929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.884929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.884929 (E_RNA) where: Base-Base interactions energy: -1730.404 where: short stacking energy: -671.642 Base-Backbone interact. energy: 3.365 local terms energy: -656.846745 where: bonds (distance) C4'-P energy: -117.705 bonds (distance) P-C4' energy: -103.890 flat angles C4'-P-C4' energy: -139.115 flat angles P-C4'-P energy: -93.981 tors. eta vs tors. theta energy: -202.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2295.656497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.656497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.656497 (E_RNA) where: Base-Base interactions energy: -1694.642 where: short stacking energy: -660.420 Base-Backbone interact. energy: 0.044 local terms energy: -601.058833 where: bonds (distance) C4'-P energy: -102.245 bonds (distance) P-C4' energy: -96.388 flat angles C4'-P-C4' energy: -129.432 flat angles P-C4'-P energy: -75.588 tors. eta vs tors. theta energy: -197.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2266.043221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.043221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.043221 (E_RNA) where: Base-Base interactions energy: -1661.848 where: short stacking energy: -646.432 Base-Backbone interact. energy: -1.467 local terms energy: -602.728368 where: bonds (distance) C4'-P energy: -101.216 bonds (distance) P-C4' energy: -81.368 flat angles C4'-P-C4' energy: -135.108 flat angles P-C4'-P energy: -86.690 tors. eta vs tors. theta energy: -198.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1992.970038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.970038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.970038 (E_RNA) where: Base-Base interactions energy: -1442.814 where: short stacking energy: -544.909 Base-Backbone interact. energy: 0.259 local terms energy: -550.414636 where: bonds (distance) C4'-P energy: -105.936 bonds (distance) P-C4' energy: -115.006 flat angles C4'-P-C4' energy: -120.187 flat angles P-C4'-P energy: -63.955 tors. eta vs tors. theta energy: -145.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1748.607945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.607945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.607945 (E_RNA) where: Base-Base interactions energy: -1228.167 where: short stacking energy: -480.651 Base-Backbone interact. energy: -1.557 local terms energy: -518.882984 where: bonds (distance) C4'-P energy: -97.648 bonds (distance) P-C4' energy: -93.589 flat angles C4'-P-C4' energy: -128.464 flat angles P-C4'-P energy: -69.970 tors. eta vs tors. theta energy: -129.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2720.904568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.904568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.904568 (E_RNA) where: Base-Base interactions energy: -1975.678 where: short stacking energy: -781.521 Base-Backbone interact. energy: 0.925 local terms energy: -746.151409 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -128.885 flat angles C4'-P-C4' energy: -152.897 flat angles P-C4'-P energy: -109.413 tors. eta vs tors. theta energy: -225.363 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: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2652.468376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.468376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.468376 (E_RNA) where: Base-Base interactions energy: -1929.320 where: short stacking energy: -742.299 Base-Backbone interact. energy: -0.190 local terms energy: -722.958269 where: bonds (distance) C4'-P energy: -116.712 bonds (distance) P-C4' energy: -134.580 flat angles C4'-P-C4' energy: -148.331 flat angles P-C4'-P energy: -104.648 tors. eta vs tors. theta energy: -218.687 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: 342 Temperature: 1.000000 Total energy: -2554.619661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.619661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.619661 (E_RNA) where: Base-Base interactions energy: -1863.039 where: short stacking energy: -717.614 Base-Backbone interact. energy: -1.373 local terms energy: -690.207764 where: bonds (distance) C4'-P energy: -117.209 bonds (distance) P-C4' energy: -124.845 flat angles C4'-P-C4' energy: -134.739 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -220.052 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2538.748720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.748720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.748720 (E_RNA) where: Base-Base interactions energy: -1845.622 where: short stacking energy: -717.642 Base-Backbone interact. energy: -1.446 local terms energy: -691.680556 where: bonds (distance) C4'-P energy: -118.946 bonds (distance) P-C4' energy: -106.849 flat angles C4'-P-C4' energy: -139.504 flat angles P-C4'-P energy: -107.029 tors. eta vs tors. theta energy: -219.353 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: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2470.374340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.374340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.374340 (E_RNA) where: Base-Base interactions energy: -1820.200 where: short stacking energy: -732.877 Base-Backbone interact. energy: -0.260 local terms energy: -649.913948 where: bonds (distance) C4'-P energy: -104.606 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -142.138 flat angles P-C4'-P energy: -86.739 tors. eta vs tors. theta energy: -217.247 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: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2393.409271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.409271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.409271 (E_RNA) where: Base-Base interactions energy: -1729.804 where: short stacking energy: -670.782 Base-Backbone interact. energy: 0.542 local terms energy: -664.147784 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -115.889 flat angles C4'-P-C4' energy: -139.339 flat angles P-C4'-P energy: -94.542 tors. eta vs tors. theta energy: -198.071 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: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2333.099502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.099502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.099502 (E_RNA) where: Base-Base interactions energy: -1726.572 where: short stacking energy: -661.117 Base-Backbone interact. energy: 0.211 local terms energy: -606.738305 where: bonds (distance) C4'-P energy: -97.009 bonds (distance) P-C4' energy: -113.978 flat angles C4'-P-C4' energy: -125.403 flat angles P-C4'-P energy: -79.308 tors. eta vs tors. theta energy: -191.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -2273.283215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.283215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.283215 (E_RNA) where: Base-Base interactions energy: -1667.592 where: short stacking energy: -648.892 Base-Backbone interact. energy: 3.793 local terms energy: -609.483850 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -107.030 flat angles C4'-P-C4' energy: -123.485 flat angles P-C4'-P energy: -87.705 tors. eta vs tors. theta energy: -184.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -2015.657811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.657811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.657811 (E_RNA) where: Base-Base interactions energy: -1443.097 where: short stacking energy: -562.312 Base-Backbone interact. energy: 1.400 local terms energy: -573.961194 where: bonds (distance) C4'-P energy: -102.001 bonds (distance) P-C4' energy: -97.767 flat angles C4'-P-C4' energy: -125.276 flat angles P-C4'-P energy: -84.516 tors. eta vs tors. theta energy: -164.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1687.423861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.423861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.423861 (E_RNA) where: Base-Base interactions energy: -1190.576 where: short stacking energy: -490.229 Base-Backbone interact. energy: 2.616 local terms energy: -499.464002 where: bonds (distance) C4'-P energy: -97.231 bonds (distance) P-C4' energy: -106.494 flat angles C4'-P-C4' energy: -95.238 flat angles P-C4'-P energy: -67.179 tors. eta vs tors. theta energy: -133.322 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: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2725.883954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.883954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.883954 (E_RNA) where: Base-Base interactions energy: -1979.031 where: short stacking energy: -769.291 Base-Backbone interact. energy: -0.337 local terms energy: -746.516667 where: bonds (distance) C4'-P energy: -137.306 bonds (distance) P-C4' energy: -127.812 flat angles C4'-P-C4' energy: -145.290 flat angles P-C4'-P energy: -102.889 tors. eta vs tors. theta energy: -233.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2646.711334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.711334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.711334 (E_RNA) where: Base-Base interactions energy: -1928.142 where: short stacking energy: -748.668 Base-Backbone interact. energy: -0.942 local terms energy: -717.627491 where: bonds (distance) C4'-P energy: -119.923 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -149.262 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -223.740 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: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2563.350233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.350233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.350233 (E_RNA) where: Base-Base interactions energy: -1878.935 where: short stacking energy: -718.022 Base-Backbone interact. energy: -0.343 local terms energy: -684.072075 where: bonds (distance) C4'-P energy: -105.102 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -145.600 flat angles P-C4'-P energy: -97.934 tors. eta vs tors. theta energy: -217.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2512.913662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.913662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.913662 (E_RNA) where: Base-Base interactions energy: -1832.420 where: short stacking energy: -705.539 Base-Backbone interact. energy: -2.376 local terms energy: -678.117503 where: bonds (distance) C4'-P energy: -111.173 bonds (distance) P-C4' energy: -114.220 flat angles C4'-P-C4' energy: -141.890 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -215.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2491.731383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.731383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.731383 (E_RNA) where: Base-Base interactions energy: -1813.574 where: short stacking energy: -718.776 Base-Backbone interact. energy: -0.348 local terms energy: -677.810058 where: bonds (distance) C4'-P energy: -103.621 bonds (distance) P-C4' energy: -120.604 flat angles C4'-P-C4' energy: -148.708 flat angles P-C4'-P energy: -91.650 tors. eta vs tors. theta energy: -213.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2367.325687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.325687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.325687 (E_RNA) where: Base-Base interactions energy: -1728.490 where: short stacking energy: -662.670 Base-Backbone interact. energy: -0.809 local terms energy: -638.027325 where: bonds (distance) C4'-P energy: -109.855 bonds (distance) P-C4' energy: -111.255 flat angles C4'-P-C4' energy: -132.318 flat angles P-C4'-P energy: -85.001 tors. eta vs tors. theta energy: -199.598 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: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2323.127949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.127949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.127949 (E_RNA) where: Base-Base interactions energy: -1710.985 where: short stacking energy: -643.995 Base-Backbone interact. energy: 0.048 local terms energy: -612.190852 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -98.647 flat angles C4'-P-C4' energy: -145.494 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -196.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -2278.735982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.735982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.735982 (E_RNA) where: Base-Base interactions energy: -1686.822 where: short stacking energy: -646.344 Base-Backbone interact. energy: -1.634 local terms energy: -590.279349 where: bonds (distance) C4'-P energy: -101.121 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -139.934 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -191.134 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: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -2039.328094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.328094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.328094 (E_RNA) where: Base-Base interactions energy: -1484.347 where: short stacking energy: -567.170 Base-Backbone interact. energy: 1.017 local terms energy: -555.997615 where: bonds (distance) C4'-P energy: -97.546 bonds (distance) P-C4' energy: -84.444 flat angles C4'-P-C4' energy: -133.591 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -162.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1700.370302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.370302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.370302 (E_RNA) where: Base-Base interactions energy: -1208.276 where: short stacking energy: -492.992 Base-Backbone interact. energy: -1.806 local terms energy: -490.288394 where: bonds (distance) C4'-P energy: -78.924 bonds (distance) P-C4' energy: -96.335 flat angles C4'-P-C4' energy: -114.559 flat angles P-C4'-P energy: -67.915 tors. eta vs tors. theta energy: -132.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2722.079606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.079606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.079606 (E_RNA) where: Base-Base interactions energy: -1989.240 where: short stacking energy: -784.767 Base-Backbone interact. energy: -2.728 local terms energy: -730.112081 where: bonds (distance) C4'-P energy: -121.052 bonds (distance) P-C4' energy: -118.274 flat angles C4'-P-C4' energy: -158.654 flat angles P-C4'-P energy: -101.587 tors. eta vs tors. theta energy: -230.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2650.537207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.537207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.537207 (E_RNA) where: Base-Base interactions energy: -1931.035 where: short stacking energy: -751.733 Base-Backbone interact. energy: -0.779 local terms energy: -718.723434 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -138.347 flat angles P-C4'-P energy: -100.466 tors. eta vs tors. theta energy: -226.181 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: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2548.044509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.044509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.044509 (E_RNA) where: Base-Base interactions energy: -1855.517 where: short stacking energy: -717.129 Base-Backbone interact. energy: -0.877 local terms energy: -691.651101 where: bonds (distance) C4'-P energy: -110.947 bonds (distance) P-C4' energy: -120.785 flat angles C4'-P-C4' energy: -146.261 flat angles P-C4'-P energy: -99.540 tors. eta vs tors. theta energy: -214.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2519.518238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.518238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.518238 (E_RNA) where: Base-Base interactions energy: -1830.727 where: short stacking energy: -719.634 Base-Backbone interact. energy: 1.314 local terms energy: -690.105606 where: bonds (distance) C4'-P energy: -113.353 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -152.065 flat angles P-C4'-P energy: -104.758 tors. eta vs tors. theta energy: -213.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2480.528263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.528263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.528263 (E_RNA) where: Base-Base interactions energy: -1807.566 where: short stacking energy: -722.479 Base-Backbone interact. energy: -1.179 local terms energy: -671.783312 where: bonds (distance) C4'-P energy: -112.908 bonds (distance) P-C4' energy: -98.434 flat angles C4'-P-C4' energy: -144.572 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -210.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2357.649294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.649294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.649294 (E_RNA) where: Base-Base interactions energy: -1721.428 where: short stacking energy: -656.813 Base-Backbone interact. energy: -1.641 local terms energy: -634.580263 where: bonds (distance) C4'-P energy: -99.350 bonds (distance) P-C4' energy: -109.714 flat angles C4'-P-C4' energy: -134.649 flat angles P-C4'-P energy: -93.572 tors. eta vs tors. theta energy: -197.296 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: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2337.004920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.004920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.004920 (E_RNA) where: Base-Base interactions energy: -1710.951 where: short stacking energy: -664.660 Base-Backbone interact. energy: -1.272 local terms energy: -624.781961 where: bonds (distance) C4'-P energy: -115.069 bonds (distance) P-C4' energy: -105.364 flat angles C4'-P-C4' energy: -118.647 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -202.128 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: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -2310.465210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.465210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.465210 (E_RNA) where: Base-Base interactions energy: -1690.080 where: short stacking energy: -651.110 Base-Backbone interact. energy: -1.434 local terms energy: -618.951741 where: bonds (distance) C4'-P energy: -97.591 bonds (distance) P-C4' energy: -109.727 flat angles C4'-P-C4' energy: -130.101 flat angles P-C4'-P energy: -87.033 tors. eta vs tors. theta energy: -194.500 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: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -2032.853069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.853069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.853069 (E_RNA) where: Base-Base interactions energy: -1488.719 where: short stacking energy: -562.880 Base-Backbone interact. energy: 0.141 local terms energy: -544.275403 where: bonds (distance) C4'-P energy: -87.058 bonds (distance) P-C4' energy: -85.045 flat angles C4'-P-C4' energy: -128.795 flat angles P-C4'-P energy: -75.717 tors. eta vs tors. theta energy: -167.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1707.396118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.396118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.396118 (E_RNA) where: Base-Base interactions energy: -1194.387 where: short stacking energy: -455.992 Base-Backbone interact. energy: -1.186 local terms energy: -511.823679 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -93.687 flat angles C4'-P-C4' energy: -116.381 flat angles P-C4'-P energy: -83.296 tors. eta vs tors. theta energy: -133.980 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: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2716.051239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.051239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.051239 (E_RNA) where: Base-Base interactions energy: -1969.464 where: short stacking energy: -764.234 Base-Backbone interact. energy: -0.497 local terms energy: -746.089551 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -121.732 flat angles C4'-P-C4' energy: -155.854 flat angles P-C4'-P energy: -106.107 tors. eta vs tors. theta energy: -230.197 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: 345 Temperature: 0.950000 Total energy: -2625.295830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.295830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.295830 (E_RNA) where: Base-Base interactions energy: -1911.503 where: short stacking energy: -729.776 Base-Backbone interact. energy: -1.937 local terms energy: -711.856811 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -131.855 flat angles C4'-P-C4' energy: -149.746 flat angles P-C4'-P energy: -99.159 tors. eta vs tors. theta energy: -208.508 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: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2573.650349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.650349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.650349 (E_RNA) where: Base-Base interactions energy: -1881.961 where: short stacking energy: -741.553 Base-Backbone interact. energy: -1.326 local terms energy: -690.363424 where: bonds (distance) C4'-P energy: -121.788 bonds (distance) P-C4' energy: -116.896 flat angles C4'-P-C4' energy: -141.517 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -218.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2546.975768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.975768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.975768 (E_RNA) where: Base-Base interactions energy: -1845.166 where: short stacking energy: -727.816 Base-Backbone interact. energy: -0.047 local terms energy: -701.763414 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -119.844 flat angles C4'-P-C4' energy: -150.006 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -221.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2488.228426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.228426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.228426 (E_RNA) where: Base-Base interactions energy: -1805.135 where: short stacking energy: -704.697 Base-Backbone interact. energy: -1.148 local terms energy: -681.944756 where: bonds (distance) C4'-P energy: -110.862 bonds (distance) P-C4' energy: -119.111 flat angles C4'-P-C4' energy: -146.200 flat angles P-C4'-P energy: -94.966 tors. eta vs tors. theta energy: -210.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2354.508693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.508693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.508693 (E_RNA) where: Base-Base interactions energy: -1714.637 where: short stacking energy: -642.198 Base-Backbone interact. energy: 3.058 local terms energy: -642.930406 where: bonds (distance) C4'-P energy: -113.292 bonds (distance) P-C4' energy: -110.645 flat angles C4'-P-C4' energy: -135.667 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -202.445 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: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2318.759248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.759248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.759248 (E_RNA) where: Base-Base interactions energy: -1667.544 where: short stacking energy: -660.975 Base-Backbone interact. energy: -0.512 local terms energy: -650.703439 where: bonds (distance) C4'-P energy: -111.679 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -133.753 flat angles P-C4'-P energy: -96.433 tors. eta vs tors. theta energy: -207.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -2292.109221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.109221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.109221 (E_RNA) where: Base-Base interactions energy: -1694.906 where: short stacking energy: -660.302 Base-Backbone interact. energy: -0.493 local terms energy: -596.710188 where: bonds (distance) C4'-P energy: -95.594 bonds (distance) P-C4' energy: -102.004 flat angles C4'-P-C4' energy: -127.911 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -187.855 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: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -2037.772928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.772928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.772928 (E_RNA) where: Base-Base interactions energy: -1484.011 where: short stacking energy: -562.875 Base-Backbone interact. energy: 2.217 local terms energy: -555.978625 where: bonds (distance) C4'-P energy: -105.165 bonds (distance) P-C4' energy: -94.870 flat angles C4'-P-C4' energy: -121.130 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -172.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1724.752506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.752506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.752506 (E_RNA) where: Base-Base interactions energy: -1203.958 where: short stacking energy: -465.602 Base-Backbone interact. energy: -2.749 local terms energy: -518.045759 where: bonds (distance) C4'-P energy: -82.204 bonds (distance) P-C4' energy: -97.179 flat angles C4'-P-C4' energy: -123.536 flat angles P-C4'-P energy: -82.887 tors. eta vs tors. theta energy: -132.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2709.074410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.074410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.074410 (E_RNA) where: Base-Base interactions energy: -1970.687 where: short stacking energy: -768.087 Base-Backbone interact. energy: -1.714 local terms energy: -736.673955 where: bonds (distance) C4'-P energy: -116.480 bonds (distance) P-C4' energy: -131.228 flat angles C4'-P-C4' energy: -151.524 flat angles P-C4'-P energy: -106.563 tors. eta vs tors. theta energy: -230.879 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: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2665.932013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.932013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.932013 (E_RNA) where: Base-Base interactions energy: -1935.956 where: short stacking energy: -751.381 Base-Backbone interact. energy: -0.901 local terms energy: -729.074983 where: bonds (distance) C4'-P energy: -117.901 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -154.105 flat angles P-C4'-P energy: -105.429 tors. eta vs tors. theta energy: -223.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2588.173859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.173859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.173859 (E_RNA) where: Base-Base interactions energy: -1899.680 where: short stacking energy: -738.633 Base-Backbone interact. energy: -2.420 local terms energy: -686.073900 where: bonds (distance) C4'-P energy: -102.667 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -138.813 flat angles P-C4'-P energy: -100.465 tors. eta vs tors. theta energy: -217.308 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: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2512.455628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.455628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.455628 (E_RNA) where: Base-Base interactions energy: -1835.527 where: short stacking energy: -707.658 Base-Backbone interact. energy: -0.924 local terms energy: -676.005152 where: bonds (distance) C4'-P energy: -100.955 bonds (distance) P-C4' energy: -109.790 flat angles C4'-P-C4' energy: -146.178 flat angles P-C4'-P energy: -107.013 tors. eta vs tors. theta energy: -212.069 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: 346 Temperature: 1.100000 Total energy: -2464.844756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.844756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.844756 (E_RNA) where: Base-Base interactions energy: -1794.770 where: short stacking energy: -719.094 Base-Backbone interact. energy: -0.994 local terms energy: -669.080596 where: bonds (distance) C4'-P energy: -92.687 bonds (distance) P-C4' energy: -119.046 flat angles C4'-P-C4' energy: -138.319 flat angles P-C4'-P energy: -102.511 tors. eta vs tors. theta energy: -216.517 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: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2395.246397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.246397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.246397 (E_RNA) where: Base-Base interactions energy: -1732.169 where: short stacking energy: -650.719 Base-Backbone interact. energy: -0.056 local terms energy: -663.021131 where: bonds (distance) C4'-P energy: -102.312 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -150.091 flat angles P-C4'-P energy: -92.818 tors. eta vs tors. theta energy: -208.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2330.138172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.138172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.138172 (E_RNA) where: Base-Base interactions energy: -1711.269 where: short stacking energy: -653.605 Base-Backbone interact. energy: 3.035 local terms energy: -621.903597 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -97.926 flat angles C4'-P-C4' energy: -119.894 flat angles P-C4'-P energy: -85.037 tors. eta vs tors. theta energy: -200.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -2287.527659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.527659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.527659 (E_RNA) where: Base-Base interactions energy: -1662.772 where: short stacking energy: -647.074 Base-Backbone interact. energy: 1.964 local terms energy: -626.720044 where: bonds (distance) C4'-P energy: -111.645 bonds (distance) P-C4' energy: -96.332 flat angles C4'-P-C4' energy: -119.008 flat angles P-C4'-P energy: -103.926 tors. eta vs tors. theta energy: -195.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -2061.054318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.054318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.054318 (E_RNA) where: Base-Base interactions energy: -1508.514 where: short stacking energy: -568.162 Base-Backbone interact. energy: 5.531 local terms energy: -558.072084 where: bonds (distance) C4'-P energy: -98.724 bonds (distance) P-C4' energy: -109.510 flat angles C4'-P-C4' energy: -111.500 flat angles P-C4'-P energy: -71.630 tors. eta vs tors. theta energy: -166.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1760.225447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.225447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.225447 (E_RNA) where: Base-Base interactions energy: -1293.300 where: short stacking energy: -516.391 Base-Backbone interact. energy: -0.135 local terms energy: -466.791029 where: bonds (distance) C4'-P energy: -92.732 bonds (distance) P-C4' energy: -78.338 flat angles C4'-P-C4' energy: -116.847 flat angles P-C4'-P energy: -64.976 tors. eta vs tors. theta energy: -113.897 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: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2702.008629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.008629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.008629 (E_RNA) where: Base-Base interactions energy: -1964.905 where: short stacking energy: -766.936 Base-Backbone interact. energy: 2.932 local terms energy: -740.035454 where: bonds (distance) C4'-P energy: -123.489 bonds (distance) P-C4' energy: -128.346 flat angles C4'-P-C4' energy: -150.485 flat angles P-C4'-P energy: -109.287 tors. eta vs tors. theta energy: -228.428 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: 347 Temperature: 0.950000 Total energy: -2619.880778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.880778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.880778 (E_RNA) where: Base-Base interactions energy: -1922.804 where: short stacking energy: -747.077 Base-Backbone interact. energy: 0.642 local terms energy: -697.719062 where: bonds (distance) C4'-P energy: -119.646 bonds (distance) P-C4' energy: -120.765 flat angles C4'-P-C4' energy: -127.532 flat angles P-C4'-P energy: -108.077 tors. eta vs tors. theta energy: -221.700 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: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2599.580663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.580663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.580663 (E_RNA) where: Base-Base interactions energy: -1902.050 where: short stacking energy: -736.203 Base-Backbone interact. energy: 1.632 local terms energy: -699.162158 where: bonds (distance) C4'-P energy: -122.300 bonds (distance) P-C4' energy: -108.345 flat angles C4'-P-C4' energy: -147.292 flat angles P-C4'-P energy: -106.169 tors. eta vs tors. theta energy: -215.057 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: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2520.272399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.272399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.272399 (E_RNA) where: Base-Base interactions energy: -1828.035 where: short stacking energy: -702.974 Base-Backbone interact. energy: -1.312 local terms energy: -690.925656 where: bonds (distance) C4'-P energy: -112.527 bonds (distance) P-C4' energy: -124.119 flat angles C4'-P-C4' energy: -145.369 flat angles P-C4'-P energy: -95.705 tors. eta vs tors. theta energy: -213.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2474.356996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.356996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.356996 (E_RNA) where: Base-Base interactions energy: -1785.792 where: short stacking energy: -707.230 Base-Backbone interact. energy: 0.948 local terms energy: -689.512388 where: bonds (distance) C4'-P energy: -109.322 bonds (distance) P-C4' energy: -123.914 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -91.429 tors. eta vs tors. theta energy: -220.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2369.638960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.638960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.638960 (E_RNA) where: Base-Base interactions energy: -1730.244 where: short stacking energy: -684.966 Base-Backbone interact. energy: -1.993 local terms energy: -637.401566 where: bonds (distance) C4'-P energy: -104.740 bonds (distance) P-C4' energy: -111.598 flat angles C4'-P-C4' energy: -125.354 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -203.453 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: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2351.958492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.958492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.958492 (E_RNA) where: Base-Base interactions energy: -1695.371 where: short stacking energy: -672.508 Base-Backbone interact. energy: -0.703 local terms energy: -655.885053 where: bonds (distance) C4'-P energy: -105.010 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -130.781 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -206.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -2257.777019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.777019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.777019 (E_RNA) where: Base-Base interactions energy: -1669.590 where: short stacking energy: -664.758 Base-Backbone interact. energy: -2.603 local terms energy: -585.583965 where: bonds (distance) C4'-P energy: -93.509 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -133.523 flat angles P-C4'-P energy: -86.701 tors. eta vs tors. theta energy: -194.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -2000.068580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.068580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.068580 (E_RNA) where: Base-Base interactions energy: -1473.304 where: short stacking energy: -562.475 Base-Backbone interact. energy: -0.723 local terms energy: -526.041506 where: bonds (distance) C4'-P energy: -80.304 bonds (distance) P-C4' energy: -92.958 flat angles C4'-P-C4' energy: -106.009 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -171.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1760.032564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.032564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.032564 (E_RNA) where: Base-Base interactions energy: -1250.231 where: short stacking energy: -509.170 Base-Backbone interact. energy: -0.228 local terms energy: -509.573895 where: bonds (distance) C4'-P energy: -85.228 bonds (distance) P-C4' energy: -92.012 flat angles C4'-P-C4' energy: -115.597 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -138.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2705.984733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.984733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.984733 (E_RNA) where: Base-Base interactions energy: -1973.843 where: short stacking energy: -761.326 Base-Backbone interact. energy: -1.383 local terms energy: -730.759134 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -117.074 flat angles C4'-P-C4' energy: -154.403 flat angles P-C4'-P energy: -109.109 tors. eta vs tors. theta energy: -229.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2605.240286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.240286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.240286 (E_RNA) where: Base-Base interactions energy: -1885.415 where: short stacking energy: -732.522 Base-Backbone interact. energy: -0.228 local terms energy: -719.597028 where: bonds (distance) C4'-P energy: -123.832 bonds (distance) P-C4' energy: -135.630 flat angles C4'-P-C4' energy: -139.535 flat angles P-C4'-P energy: -104.046 tors. eta vs tors. theta energy: -216.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2607.917494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.917494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.917494 (E_RNA) where: Base-Base interactions energy: -1904.281 where: short stacking energy: -723.895 Base-Backbone interact. energy: -1.572 local terms energy: -702.064435 where: bonds (distance) C4'-P energy: -124.438 bonds (distance) P-C4' energy: -119.771 flat angles C4'-P-C4' energy: -145.224 flat angles P-C4'-P energy: -97.841 tors. eta vs tors. theta energy: -214.792 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: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2522.760410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.760410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.760410 (E_RNA) where: Base-Base interactions energy: -1818.442 where: short stacking energy: -715.866 Base-Backbone interact. energy: -0.046 local terms energy: -704.272213 where: bonds (distance) C4'-P energy: -125.090 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -143.731 flat angles P-C4'-P energy: -98.379 tors. eta vs tors. theta energy: -213.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2454.403695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.403695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.403695 (E_RNA) where: Base-Base interactions energy: -1757.853 where: short stacking energy: -677.933 Base-Backbone interact. energy: -3.010 local terms energy: -693.541434 where: bonds (distance) C4'-P energy: -114.239 bonds (distance) P-C4' energy: -110.743 flat angles C4'-P-C4' energy: -149.576 flat angles P-C4'-P energy: -109.797 tors. eta vs tors. theta energy: -209.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2387.852862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.852862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.852862 (E_RNA) where: Base-Base interactions energy: -1760.756 where: short stacking energy: -673.510 Base-Backbone interact. energy: 1.159 local terms energy: -628.255450 where: bonds (distance) C4'-P energy: -106.181 bonds (distance) P-C4' energy: -98.309 flat angles C4'-P-C4' energy: -134.626 flat angles P-C4'-P energy: -89.359 tors. eta vs tors. theta energy: -199.781 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: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2356.809549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.809549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.809549 (E_RNA) where: Base-Base interactions energy: -1726.279 where: short stacking energy: -673.985 Base-Backbone interact. energy: 0.238 local terms energy: -630.768184 where: bonds (distance) C4'-P energy: -95.558 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -140.456 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: -209.297 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: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -2272.469229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.469229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.469229 (E_RNA) where: Base-Base interactions energy: -1651.538 where: short stacking energy: -651.300 Base-Backbone interact. energy: 0.083 local terms energy: -621.013856 where: bonds (distance) C4'-P energy: -98.210 bonds (distance) P-C4' energy: -104.785 flat angles C4'-P-C4' energy: -132.070 flat angles P-C4'-P energy: -92.126 tors. eta vs tors. theta energy: -193.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -2050.299979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.299979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.299979 (E_RNA) where: Base-Base interactions energy: -1483.290 where: short stacking energy: -551.723 Base-Backbone interact. energy: 0.380 local terms energy: -567.389960 where: bonds (distance) C4'-P energy: -113.101 bonds (distance) P-C4' energy: -83.436 flat angles C4'-P-C4' energy: -121.656 flat angles P-C4'-P energy: -81.407 tors. eta vs tors. theta energy: -167.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1816.236284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.236284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.236284 (E_RNA) where: Base-Base interactions energy: -1283.167 where: short stacking energy: -495.124 Base-Backbone interact. energy: 1.613 local terms energy: -534.682271 where: bonds (distance) C4'-P energy: -110.870 bonds (distance) P-C4' energy: -100.142 flat angles C4'-P-C4' energy: -116.871 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: -136.917 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: 349 Temperature: 0.900000 Total energy: -2722.444735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.444735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.444735 (E_RNA) where: Base-Base interactions energy: -1985.965 where: short stacking energy: -776.737 Base-Backbone interact. energy: -1.338 local terms energy: -735.141832 where: bonds (distance) C4'-P energy: -118.423 bonds (distance) P-C4' energy: -132.929 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -109.470 tors. eta vs tors. theta energy: -226.490 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: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2591.677941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.677941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.677941 (E_RNA) where: Base-Base interactions energy: -1886.825 where: short stacking energy: -726.571 Base-Backbone interact. energy: -1.019 local terms energy: -703.833386 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -116.439 flat angles C4'-P-C4' energy: -150.172 flat angles P-C4'-P energy: -107.994 tors. eta vs tors. theta energy: -208.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2643.107596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.107596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.107596 (E_RNA) where: Base-Base interactions energy: -1928.439 where: short stacking energy: -739.776 Base-Backbone interact. energy: -2.160 local terms energy: -712.508461 where: bonds (distance) C4'-P energy: -119.083 bonds (distance) P-C4' energy: -124.953 flat angles C4'-P-C4' energy: -144.663 flat angles P-C4'-P energy: -100.180 tors. eta vs tors. theta energy: -223.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2524.753170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.753170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.753170 (E_RNA) where: Base-Base interactions energy: -1822.890 where: short stacking energy: -729.034 Base-Backbone interact. energy: -1.155 local terms energy: -700.708336 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -112.405 flat angles C4'-P-C4' energy: -143.590 flat angles P-C4'-P energy: -103.109 tors. eta vs tors. theta energy: -225.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2460.318398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.318398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.318398 (E_RNA) where: Base-Base interactions energy: -1808.615 where: short stacking energy: -711.824 Base-Backbone interact. energy: -0.840 local terms energy: -650.862936 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -109.059 flat angles C4'-P-C4' energy: -133.514 flat angles P-C4'-P energy: -92.142 tors. eta vs tors. theta energy: -214.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2369.661986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.661986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.661986 (E_RNA) where: Base-Base interactions energy: -1725.463 where: short stacking energy: -673.401 Base-Backbone interact. energy: -0.681 local terms energy: -643.518028 where: bonds (distance) C4'-P energy: -102.523 bonds (distance) P-C4' energy: -115.251 flat angles C4'-P-C4' energy: -133.459 flat angles P-C4'-P energy: -94.377 tors. eta vs tors. theta energy: -197.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2356.957101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.957101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.957101 (E_RNA) where: Base-Base interactions energy: -1709.210 where: short stacking energy: -666.283 Base-Backbone interact. energy: -1.148 local terms energy: -646.599607 where: bonds (distance) C4'-P energy: -117.999 bonds (distance) P-C4' energy: -104.074 flat angles C4'-P-C4' energy: -136.409 flat angles P-C4'-P energy: -88.040 tors. eta vs tors. theta energy: -200.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -2241.190475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.190475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.190475 (E_RNA) where: Base-Base interactions energy: -1655.265 where: short stacking energy: -632.363 Base-Backbone interact. energy: -1.141 local terms energy: -584.784307 where: bonds (distance) C4'-P energy: -104.660 bonds (distance) P-C4' energy: -102.854 flat angles C4'-P-C4' energy: -111.826 flat angles P-C4'-P energy: -76.598 tors. eta vs tors. theta energy: -188.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1977.474146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.474146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.474146 (E_RNA) where: Base-Base interactions energy: -1415.952 where: short stacking energy: -559.775 Base-Backbone interact. energy: -1.074 local terms energy: -560.448901 where: bonds (distance) C4'-P energy: -109.072 bonds (distance) P-C4' energy: -104.526 flat angles C4'-P-C4' energy: -115.717 flat angles P-C4'-P energy: -76.319 tors. eta vs tors. theta energy: -154.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1793.084000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.084000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.084000 (E_RNA) where: Base-Base interactions energy: -1277.971 where: short stacking energy: -503.528 Base-Backbone interact. energy: -1.831 local terms energy: -513.282204 where: bonds (distance) C4'-P energy: -93.956 bonds (distance) P-C4' energy: -95.383 flat angles C4'-P-C4' energy: -111.878 flat angles P-C4'-P energy: -71.548 tors. eta vs tors. theta energy: -140.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2708.178455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.178455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.178455 (E_RNA) where: Base-Base interactions energy: -1973.305 where: short stacking energy: -764.325 Base-Backbone interact. energy: -1.936 local terms energy: -732.937068 where: bonds (distance) C4'-P energy: -113.178 bonds (distance) P-C4' energy: -126.097 flat angles C4'-P-C4' energy: -152.591 flat angles P-C4'-P energy: -114.343 tors. eta vs tors. theta energy: -226.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2634.941118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.941118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.941118 (E_RNA) where: Base-Base interactions energy: -1907.819 where: short stacking energy: -735.181 Base-Backbone interact. energy: -0.334 local terms energy: -726.788125 where: bonds (distance) C4'-P energy: -118.100 bonds (distance) P-C4' energy: -135.162 flat angles C4'-P-C4' energy: -152.108 flat angles P-C4'-P energy: -104.530 tors. eta vs tors. theta energy: -216.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2557.509777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.509777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.509777 (E_RNA) where: Base-Base interactions energy: -1859.438 where: short stacking energy: -727.509 Base-Backbone interact. energy: -1.784 local terms energy: -696.288096 where: bonds (distance) C4'-P energy: -112.197 bonds (distance) P-C4' energy: -111.594 flat angles C4'-P-C4' energy: -156.911 flat angles P-C4'-P energy: -100.234 tors. eta vs tors. theta energy: -215.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2565.358454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.358454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.358454 (E_RNA) where: Base-Base interactions energy: -1921.214 where: short stacking energy: -732.873 Base-Backbone interact. energy: 2.037 local terms energy: -646.181211 where: bonds (distance) C4'-P energy: -107.013 bonds (distance) P-C4' energy: -88.061 flat angles C4'-P-C4' energy: -143.922 flat angles P-C4'-P energy: -90.133 tors. eta vs tors. theta energy: -217.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2470.008449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.008449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.008449 (E_RNA) where: Base-Base interactions energy: -1788.261 where: short stacking energy: -708.083 Base-Backbone interact. energy: -1.398 local terms energy: -680.349402 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -111.311 flat angles C4'-P-C4' energy: -146.626 flat angles P-C4'-P energy: -112.228 tors. eta vs tors. theta energy: -212.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2406.080116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.080116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.080116 (E_RNA) where: Base-Base interactions energy: -1762.063 where: short stacking energy: -689.501 Base-Backbone interact. energy: 2.516 local terms energy: -646.533000 where: bonds (distance) C4'-P energy: -119.638 bonds (distance) P-C4' energy: -108.252 flat angles C4'-P-C4' energy: -132.534 flat angles P-C4'-P energy: -85.450 tors. eta vs tors. theta energy: -200.659 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: 350 Temperature: 1.200000 Total energy: -2342.008796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.008796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.008796 (E_RNA) where: Base-Base interactions energy: -1725.714 where: short stacking energy: -669.210 Base-Backbone interact. energy: 2.304 local terms energy: -618.599667 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -98.775 flat angles C4'-P-C4' energy: -141.614 flat angles P-C4'-P energy: -89.370 tors. eta vs tors. theta energy: -194.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -2264.024426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.024426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.024426 (E_RNA) where: Base-Base interactions energy: -1626.271 where: short stacking energy: -621.389 Base-Backbone interact. energy: -1.094 local terms energy: -636.659975 where: bonds (distance) C4'-P energy: -106.815 bonds (distance) P-C4' energy: -123.533 flat angles C4'-P-C4' energy: -132.242 flat angles P-C4'-P energy: -79.267 tors. eta vs tors. theta energy: -194.803 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: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1965.011843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.011843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.011843 (E_RNA) where: Base-Base interactions energy: -1425.145 where: short stacking energy: -558.243 Base-Backbone interact. energy: 2.163 local terms energy: -542.030272 where: bonds (distance) C4'-P energy: -84.774 bonds (distance) P-C4' energy: -105.849 flat angles C4'-P-C4' energy: -130.202 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -145.719 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: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1755.537448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.537448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.537448 (E_RNA) where: Base-Base interactions energy: -1234.590 where: short stacking energy: -500.294 Base-Backbone interact. energy: -1.416 local terms energy: -519.531968 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -100.054 flat angles C4'-P-C4' energy: -113.656 flat angles P-C4'-P energy: -82.991 tors. eta vs tors. theta energy: -136.735 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: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2714.227868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.227868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.227868 (E_RNA) where: Base-Base interactions energy: -1960.863 where: short stacking energy: -771.408 Base-Backbone interact. energy: -1.864 local terms energy: -751.500884 where: bonds (distance) C4'-P energy: -133.697 bonds (distance) P-C4' energy: -130.881 flat angles C4'-P-C4' energy: -155.502 flat angles P-C4'-P energy: -102.622 tors. eta vs tors. theta energy: -228.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2631.492535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.492535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.492535 (E_RNA) where: Base-Base interactions energy: -1924.935 where: short stacking energy: -739.590 Base-Backbone interact. energy: -0.579 local terms energy: -705.978333 where: bonds (distance) C4'-P energy: -108.251 bonds (distance) P-C4' energy: -124.911 flat angles C4'-P-C4' energy: -150.471 flat angles P-C4'-P energy: -103.952 tors. eta vs tors. theta energy: -218.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2598.597500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.597500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.597500 (E_RNA) where: Base-Base interactions energy: -1902.519 where: short stacking energy: -738.993 Base-Backbone interact. energy: -0.571 local terms energy: -695.507749 where: bonds (distance) C4'-P energy: -106.365 bonds (distance) P-C4' energy: -119.505 flat angles C4'-P-C4' energy: -147.023 flat angles P-C4'-P energy: -102.824 tors. eta vs tors. theta energy: -219.791 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: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2548.416015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.416015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.416015 (E_RNA) where: Base-Base interactions energy: -1875.315 where: short stacking energy: -728.326 Base-Backbone interact. energy: -0.785 local terms energy: -672.316243 where: bonds (distance) C4'-P energy: -106.763 bonds (distance) P-C4' energy: -115.515 flat angles C4'-P-C4' energy: -135.312 flat angles P-C4'-P energy: -96.620 tors. eta vs tors. theta energy: -218.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2455.246143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.246143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.246143 (E_RNA) where: Base-Base interactions energy: -1791.970 where: short stacking energy: -695.596 Base-Backbone interact. energy: 0.314 local terms energy: -663.590745 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -120.890 flat angles C4'-P-C4' energy: -143.889 flat angles P-C4'-P energy: -97.211 tors. eta vs tors. theta energy: -212.338 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: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2403.317847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.317847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.317847 (E_RNA) where: Base-Base interactions energy: -1761.704 where: short stacking energy: -680.167 Base-Backbone interact. energy: 2.848 local terms energy: -644.461529 where: bonds (distance) C4'-P energy: -94.213 bonds (distance) P-C4' energy: -104.101 flat angles C4'-P-C4' energy: -142.485 flat angles P-C4'-P energy: -101.414 tors. eta vs tors. theta energy: -202.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2328.956446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.956446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.956446 (E_RNA) where: Base-Base interactions energy: -1695.078 where: short stacking energy: -657.396 Base-Backbone interact. energy: 6.163 local terms energy: -640.041526 where: bonds (distance) C4'-P energy: -100.892 bonds (distance) P-C4' energy: -113.395 flat angles C4'-P-C4' energy: -137.812 flat angles P-C4'-P energy: -93.765 tors. eta vs tors. theta energy: -194.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -2278.689840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.689840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.689840 (E_RNA) where: Base-Base interactions energy: -1692.820 where: short stacking energy: -651.133 Base-Backbone interact. energy: -0.630 local terms energy: -585.240742 where: bonds (distance) C4'-P energy: -97.354 bonds (distance) P-C4' energy: -82.424 flat angles C4'-P-C4' energy: -125.208 flat angles P-C4'-P energy: -86.502 tors. eta vs tors. theta energy: -193.753 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: 351 Temperature: 1.300000 Total energy: -1948.844789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.844789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.844789 (E_RNA) where: Base-Base interactions energy: -1464.181 where: short stacking energy: -560.509 Base-Backbone interact. energy: -1.969 local terms energy: -482.694529 where: bonds (distance) C4'-P energy: -67.815 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -119.871 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -139.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1800.720146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.720146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.720146 (E_RNA) where: Base-Base interactions energy: -1279.756 where: short stacking energy: -498.231 Base-Backbone interact. energy: -1.948 local terms energy: -519.015728 where: bonds (distance) C4'-P energy: -97.970 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -126.154 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -133.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2698.739326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.739326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.739326 (E_RNA) where: Base-Base interactions energy: -1970.828 where: short stacking energy: -763.085 Base-Backbone interact. energy: 2.010 local terms energy: -729.921394 where: bonds (distance) C4'-P energy: -110.806 bonds (distance) P-C4' energy: -128.623 flat angles C4'-P-C4' energy: -150.650 flat angles P-C4'-P energy: -114.592 tors. eta vs tors. theta energy: -225.251 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: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2623.838290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.838290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.838290 (E_RNA) where: Base-Base interactions energy: -1916.577 where: short stacking energy: -745.879 Base-Backbone interact. energy: -0.047 local terms energy: -707.213961 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -111.551 flat angles C4'-P-C4' energy: -153.797 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -222.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2566.543073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.543073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.543073 (E_RNA) where: Base-Base interactions energy: -1858.038 where: short stacking energy: -725.452 Base-Backbone interact. energy: -0.373 local terms energy: -708.131941 where: bonds (distance) C4'-P energy: -117.677 bonds (distance) P-C4' energy: -124.853 flat angles C4'-P-C4' energy: -150.588 flat angles P-C4'-P energy: -94.140 tors. eta vs tors. theta energy: -220.874 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: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2560.923030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.923030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.923030 (E_RNA) where: Base-Base interactions energy: -1889.400 where: short stacking energy: -735.397 Base-Backbone interact. energy: 1.266 local terms energy: -672.788182 where: bonds (distance) C4'-P energy: -89.138 bonds (distance) P-C4' energy: -118.296 flat angles C4'-P-C4' energy: -144.064 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -218.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2502.372810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.372810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.372810 (E_RNA) where: Base-Base interactions energy: -1822.254 where: short stacking energy: -720.226 Base-Backbone interact. energy: -0.621 local terms energy: -679.498032 where: bonds (distance) C4'-P energy: -113.458 bonds (distance) P-C4' energy: -120.461 flat angles C4'-P-C4' energy: -139.569 flat angles P-C4'-P energy: -94.869 tors. eta vs tors. theta energy: -211.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2398.332767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.332767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.332767 (E_RNA) where: Base-Base interactions energy: -1739.378 where: short stacking energy: -680.014 Base-Backbone interact. energy: -0.381 local terms energy: -658.574195 where: bonds (distance) C4'-P energy: -120.764 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -134.822 flat angles P-C4'-P energy: -88.142 tors. eta vs tors. theta energy: -205.897 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: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2318.882779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.882779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.882779 (E_RNA) where: Base-Base interactions energy: -1681.287 where: short stacking energy: -663.949 Base-Backbone interact. energy: 0.726 local terms energy: -638.321728 where: bonds (distance) C4'-P energy: -105.510 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -128.595 flat angles P-C4'-P energy: -99.088 tors. eta vs tors. theta energy: -192.842 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: 352 Temperature: 1.250000 Total energy: -2278.032761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.032761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.032761 (E_RNA) where: Base-Base interactions energy: -1640.513 where: short stacking energy: -642.707 Base-Backbone interact. energy: -2.036 local terms energy: -635.484134 where: bonds (distance) C4'-P energy: -105.811 bonds (distance) P-C4' energy: -107.096 flat angles C4'-P-C4' energy: -137.785 flat angles P-C4'-P energy: -89.873 tors. eta vs tors. theta energy: -194.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1982.876183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.876183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.876183 (E_RNA) where: Base-Base interactions energy: -1469.927 where: short stacking energy: -576.138 Base-Backbone interact. energy: -0.663 local terms energy: -512.286325 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -122.129 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -167.461 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: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1815.573896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.573896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.573896 (E_RNA) where: Base-Base interactions energy: -1268.249 where: short stacking energy: -514.904 Base-Backbone interact. energy: -0.017 local terms energy: -547.307253 where: bonds (distance) C4'-P energy: -96.983 bonds (distance) P-C4' energy: -102.276 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -87.648 tors. eta vs tors. theta energy: -152.954 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: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2692.013799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.013799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.013799 (E_RNA) where: Base-Base interactions energy: -1929.396 where: short stacking energy: -752.650 Base-Backbone interact. energy: -2.904 local terms energy: -759.713715 where: bonds (distance) C4'-P energy: -122.679 bonds (distance) P-C4' energy: -137.152 flat angles C4'-P-C4' energy: -164.052 flat angles P-C4'-P energy: -106.055 tors. eta vs tors. theta energy: -229.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2626.704761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.704761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.704761 (E_RNA) where: Base-Base interactions energy: -1906.685 where: short stacking energy: -734.511 Base-Backbone interact. energy: -2.204 local terms energy: -717.816192 where: bonds (distance) C4'-P energy: -118.898 bonds (distance) P-C4' energy: -124.967 flat angles C4'-P-C4' energy: -149.159 flat angles P-C4'-P energy: -110.000 tors. eta vs tors. theta energy: -214.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2561.342835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.342835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.342835 (E_RNA) where: Base-Base interactions energy: -1878.773 where: short stacking energy: -725.653 Base-Backbone interact. energy: -1.568 local terms energy: -681.002421 where: bonds (distance) C4'-P energy: -102.803 bonds (distance) P-C4' energy: -125.598 flat angles C4'-P-C4' energy: -143.372 flat angles P-C4'-P energy: -94.424 tors. eta vs tors. theta energy: -214.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2501.320881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.320881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.320881 (E_RNA) where: Base-Base interactions energy: -1810.188 where: short stacking energy: -712.733 Base-Backbone interact. energy: -1.566 local terms energy: -689.566002 where: bonds (distance) C4'-P energy: -113.094 bonds (distance) P-C4' energy: -113.895 flat angles C4'-P-C4' energy: -148.230 flat angles P-C4'-P energy: -98.912 tors. eta vs tors. theta energy: -215.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2493.362687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.362687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.362687 (E_RNA) where: Base-Base interactions energy: -1850.404 where: short stacking energy: -707.729 Base-Backbone interact. energy: -0.361 local terms energy: -642.596938 where: bonds (distance) C4'-P energy: -96.289 bonds (distance) P-C4' energy: -102.631 flat angles C4'-P-C4' energy: -138.232 flat angles P-C4'-P energy: -99.307 tors. eta vs tors. theta energy: -206.138 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: 10 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2410.423173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.423173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.423173 (E_RNA) where: Base-Base interactions energy: -1773.009 where: short stacking energy: -684.358 Base-Backbone interact. energy: -1.259 local terms energy: -636.154490 where: bonds (distance) C4'-P energy: -114.422 bonds (distance) P-C4' energy: -107.535 flat angles C4'-P-C4' energy: -136.621 flat angles P-C4'-P energy: -80.787 tors. eta vs tors. theta energy: -196.790 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: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2314.668042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.668042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.668042 (E_RNA) where: Base-Base interactions energy: -1733.486 where: short stacking energy: -653.740 Base-Backbone interact. energy: -0.208 local terms energy: -580.974094 where: bonds (distance) C4'-P energy: -104.220 bonds (distance) P-C4' energy: -87.244 flat angles C4'-P-C4' energy: -119.789 flat angles P-C4'-P energy: -78.633 tors. eta vs tors. theta energy: -191.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -2293.952954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.952954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.952954 (E_RNA) where: Base-Base interactions energy: -1671.578 where: short stacking energy: -662.807 Base-Backbone interact. energy: -3.152 local terms energy: -619.223073 where: bonds (distance) C4'-P energy: -108.365 bonds (distance) P-C4' energy: -90.865 flat angles C4'-P-C4' energy: -134.103 flat angles P-C4'-P energy: -85.429 tors. eta vs tors. theta energy: -200.462 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: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -2045.128724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.128724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.128724 (E_RNA) where: Base-Base interactions energy: -1479.455 where: short stacking energy: -579.737 Base-Backbone interact. energy: -1.313 local terms energy: -564.360750 where: bonds (distance) C4'-P energy: -89.074 bonds (distance) P-C4' energy: -94.477 flat angles C4'-P-C4' energy: -123.516 flat angles P-C4'-P energy: -70.725 tors. eta vs tors. theta energy: -186.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1889.495737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.495737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.495737 (E_RNA) where: Base-Base interactions energy: -1355.112 where: short stacking energy: -539.657 Base-Backbone interact. energy: 1.961 local terms energy: -536.345630 where: bonds (distance) C4'-P energy: -104.833 bonds (distance) P-C4' energy: -104.103 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -68.597 tors. eta vs tors. theta energy: -146.906 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: 354 Temperature: 0.900000 Total energy: -2669.215159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.215159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.215159 (E_RNA) where: Base-Base interactions energy: -1928.456 where: short stacking energy: -755.483 Base-Backbone interact. energy: -1.307 local terms energy: -739.451939 where: bonds (distance) C4'-P energy: -121.693 bonds (distance) P-C4' energy: -116.616 flat angles C4'-P-C4' energy: -161.802 flat angles P-C4'-P energy: -108.797 tors. eta vs tors. theta energy: -230.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2613.654259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.654259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.654259 (E_RNA) where: Base-Base interactions energy: -1899.426 where: short stacking energy: -748.035 Base-Backbone interact. energy: -1.610 local terms energy: -712.617958 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -122.238 flat angles C4'-P-C4' energy: -153.125 flat angles P-C4'-P energy: -99.949 tors. eta vs tors. theta energy: -219.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2545.339731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.339731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.339731 (E_RNA) where: Base-Base interactions energy: -1851.055 where: short stacking energy: -712.045 Base-Backbone interact. energy: -0.259 local terms energy: -694.025527 where: bonds (distance) C4'-P energy: -103.558 bonds (distance) P-C4' energy: -129.353 flat angles C4'-P-C4' energy: -146.763 flat angles P-C4'-P energy: -102.696 tors. eta vs tors. theta energy: -211.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2511.179370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.179370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.179370 (E_RNA) where: Base-Base interactions energy: -1850.073 where: short stacking energy: -736.825 Base-Backbone interact. energy: -0.916 local terms energy: -660.190376 where: bonds (distance) C4'-P energy: -108.906 bonds (distance) P-C4' energy: -105.489 flat angles C4'-P-C4' energy: -135.391 flat angles P-C4'-P energy: -97.026 tors. eta vs tors. theta energy: -213.378 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: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2460.445435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.445435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.445435 (E_RNA) where: Base-Base interactions energy: -1812.544 where: short stacking energy: -693.823 Base-Backbone interact. energy: -1.208 local terms energy: -646.693551 where: bonds (distance) C4'-P energy: -105.214 bonds (distance) P-C4' energy: -105.168 flat angles C4'-P-C4' energy: -134.619 flat angles P-C4'-P energy: -90.644 tors. eta vs tors. theta energy: -211.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2383.268952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.268952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.268952 (E_RNA) where: Base-Base interactions energy: -1753.581 where: short stacking energy: -677.013 Base-Backbone interact. energy: -1.843 local terms energy: -627.845207 where: bonds (distance) C4'-P energy: -103.482 bonds (distance) P-C4' energy: -97.725 flat angles C4'-P-C4' energy: -127.604 flat angles P-C4'-P energy: -87.489 tors. eta vs tors. theta energy: -211.545 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: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2335.789584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.789584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.789584 (E_RNA) where: Base-Base interactions energy: -1726.290 where: short stacking energy: -691.324 Base-Backbone interact. energy: -1.431 local terms energy: -608.068056 where: bonds (distance) C4'-P energy: -83.958 bonds (distance) P-C4' energy: -89.195 flat angles C4'-P-C4' energy: -136.929 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -203.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2289.394041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.394041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.394041 (E_RNA) where: Base-Base interactions energy: -1669.943 where: short stacking energy: -658.196 Base-Backbone interact. energy: 1.091 local terms energy: -620.542355 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -107.426 flat angles C4'-P-C4' energy: -127.568 flat angles P-C4'-P energy: -86.549 tors. eta vs tors. theta energy: -191.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -2060.284869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.284869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.284869 (E_RNA) where: Base-Base interactions energy: -1469.209 where: short stacking energy: -564.946 Base-Backbone interact. energy: -0.491 local terms energy: -590.584650 where: bonds (distance) C4'-P energy: -102.335 bonds (distance) P-C4' energy: -123.786 flat angles C4'-P-C4' energy: -131.125 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -169.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1802.240407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.240407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.240407 (E_RNA) where: Base-Base interactions energy: -1272.972 where: short stacking energy: -501.801 Base-Backbone interact. energy: 3.000 local terms energy: -532.268455 where: bonds (distance) C4'-P energy: -95.422 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -117.147 flat angles P-C4'-P energy: -83.117 tors. eta vs tors. theta energy: -141.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2695.692848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.692848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.692848 (E_RNA) where: Base-Base interactions energy: -1973.822 where: short stacking energy: -764.575 Base-Backbone interact. energy: -2.292 local terms energy: -719.578611 where: bonds (distance) C4'-P energy: -128.079 bonds (distance) P-C4' energy: -113.914 flat angles C4'-P-C4' energy: -154.722 flat angles P-C4'-P energy: -97.623 tors. eta vs tors. theta energy: -225.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2596.345238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.345238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.345238 (E_RNA) where: Base-Base interactions energy: -1876.955 where: short stacking energy: -717.752 Base-Backbone interact. energy: -1.599 local terms energy: -717.790762 where: bonds (distance) C4'-P energy: -122.366 bonds (distance) P-C4' energy: -124.744 flat angles C4'-P-C4' energy: -145.756 flat angles P-C4'-P energy: -109.503 tors. eta vs tors. theta energy: -215.422 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: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2536.911266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.911266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.911266 (E_RNA) where: Base-Base interactions energy: -1857.201 where: short stacking energy: -719.478 Base-Backbone interact. energy: -1.852 local terms energy: -677.857624 where: bonds (distance) C4'-P energy: -122.043 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -144.080 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -210.178 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: 355 Temperature: 1.050000 Total energy: -2511.871673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.871673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.871673 (E_RNA) where: Base-Base interactions energy: -1823.485 where: short stacking energy: -721.912 Base-Backbone interact. energy: -0.778 local terms energy: -687.608944 where: bonds (distance) C4'-P energy: -108.126 bonds (distance) P-C4' energy: -117.155 flat angles C4'-P-C4' energy: -141.174 flat angles P-C4'-P energy: -97.072 tors. eta vs tors. theta energy: -224.081 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: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2506.143512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.143512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.143512 (E_RNA) where: Base-Base interactions energy: -1831.872 where: short stacking energy: -690.843 Base-Backbone interact. energy: -0.979 local terms energy: -673.292561 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -110.853 flat angles C4'-P-C4' energy: -153.541 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -207.233 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: 6, replica: 10 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2416.102291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.102291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.102291 (E_RNA) where: Base-Base interactions energy: -1753.247 where: short stacking energy: -675.648 Base-Backbone interact. energy: -2.900 local terms energy: -659.954914 where: bonds (distance) C4'-P energy: -100.651 bonds (distance) P-C4' energy: -107.531 flat angles C4'-P-C4' energy: -143.751 flat angles P-C4'-P energy: -96.414 tors. eta vs tors. theta energy: -211.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2314.087705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.087705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.087705 (E_RNA) where: Base-Base interactions energy: -1701.710 where: short stacking energy: -631.860 Base-Backbone interact. energy: -0.072 local terms energy: -612.305975 where: bonds (distance) C4'-P energy: -74.153 bonds (distance) P-C4' energy: -118.577 flat angles C4'-P-C4' energy: -138.107 flat angles P-C4'-P energy: -92.812 tors. eta vs tors. theta energy: -188.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2286.611856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.611856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.611856 (E_RNA) where: Base-Base interactions energy: -1678.714 where: short stacking energy: -646.135 Base-Backbone interact. energy: 0.718 local terms energy: -608.616056 where: bonds (distance) C4'-P energy: -103.351 bonds (distance) P-C4' energy: -99.806 flat angles C4'-P-C4' energy: -133.806 flat angles P-C4'-P energy: -69.228 tors. eta vs tors. theta energy: -202.425 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: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -2021.326993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.326993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.326993 (E_RNA) where: Base-Base interactions energy: -1453.985 where: short stacking energy: -552.839 Base-Backbone interact. energy: -1.225 local terms energy: -566.116946 where: bonds (distance) C4'-P energy: -99.881 bonds (distance) P-C4' energy: -98.780 flat angles C4'-P-C4' energy: -125.552 flat angles P-C4'-P energy: -74.430 tors. eta vs tors. theta energy: -167.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1784.042657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.042657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.042657 (E_RNA) where: Base-Base interactions energy: -1277.455 where: short stacking energy: -497.529 Base-Backbone interact. energy: 5.253 local terms energy: -511.840618 where: bonds (distance) C4'-P energy: -88.047 bonds (distance) P-C4' energy: -88.785 flat angles C4'-P-C4' energy: -112.906 flat angles P-C4'-P energy: -77.648 tors. eta vs tors. theta energy: -144.454 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2699.570051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.570051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.570051 (E_RNA) where: Base-Base interactions energy: -1963.250 where: short stacking energy: -761.086 Base-Backbone interact. energy: 1.805 local terms energy: -738.125127 where: bonds (distance) C4'-P energy: -125.751 bonds (distance) P-C4' energy: -129.500 flat angles C4'-P-C4' energy: -151.283 flat angles P-C4'-P energy: -107.332 tors. eta vs tors. theta energy: -224.260 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: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2582.609799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.609799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.609799 (E_RNA) where: Base-Base interactions energy: -1883.698 where: short stacking energy: -724.945 Base-Backbone interact. energy: -0.827 local terms energy: -698.084671 where: bonds (distance) C4'-P energy: -117.328 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -152.600 flat angles P-C4'-P energy: -104.261 tors. eta vs tors. theta energy: -208.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2551.808692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.808692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.808692 (E_RNA) where: Base-Base interactions energy: -1858.118 where: short stacking energy: -721.411 Base-Backbone interact. energy: -1.965 local terms energy: -691.725738 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -113.571 flat angles C4'-P-C4' energy: -156.408 flat angles P-C4'-P energy: -105.055 tors. eta vs tors. theta energy: -213.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2522.859143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.859143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.859143 (E_RNA) where: Base-Base interactions energy: -1824.761 where: short stacking energy: -720.198 Base-Backbone interact. energy: -2.755 local terms energy: -695.342593 where: bonds (distance) C4'-P energy: -110.416 bonds (distance) P-C4' energy: -117.348 flat angles C4'-P-C4' energy: -149.465 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -214.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2500.955359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.955359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.955359 (E_RNA) where: Base-Base interactions energy: -1850.149 where: short stacking energy: -709.942 Base-Backbone interact. energy: 1.844 local terms energy: -652.650786 where: bonds (distance) C4'-P energy: -115.870 bonds (distance) P-C4' energy: -102.833 flat angles C4'-P-C4' energy: -128.296 flat angles P-C4'-P energy: -94.553 tors. eta vs tors. theta energy: -211.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2390.596461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.596461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.596461 (E_RNA) where: Base-Base interactions energy: -1739.419 where: short stacking energy: -690.712 Base-Backbone interact. energy: 0.618 local terms energy: -651.794774 where: bonds (distance) C4'-P energy: -105.009 bonds (distance) P-C4' energy: -99.367 flat angles C4'-P-C4' energy: -143.811 flat angles P-C4'-P energy: -95.723 tors. eta vs tors. theta energy: -207.884 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: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2307.549667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.549667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.549667 (E_RNA) where: Base-Base interactions energy: -1689.187 where: short stacking energy: -649.416 Base-Backbone interact. energy: 3.869 local terms energy: -622.231906 where: bonds (distance) C4'-P energy: -102.228 bonds (distance) P-C4' energy: -106.605 flat angles C4'-P-C4' energy: -133.781 flat angles P-C4'-P energy: -88.418 tors. eta vs tors. theta energy: -191.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2384.245108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.245108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.245108 (E_RNA) where: Base-Base interactions energy: -1744.093 where: short stacking energy: -682.410 Base-Backbone interact. energy: 1.160 local terms energy: -641.312285 where: bonds (distance) C4'-P energy: -103.903 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -138.064 flat angles P-C4'-P energy: -90.940 tors. eta vs tors. theta energy: -203.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1931.992666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.992666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.992666 (E_RNA) where: Base-Base interactions energy: -1407.125 where: short stacking energy: -530.087 Base-Backbone interact. energy: 0.263 local terms energy: -525.130572 where: bonds (distance) C4'-P energy: -92.329 bonds (distance) P-C4' energy: -88.794 flat angles C4'-P-C4' energy: -109.321 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -140.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1787.803272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.803272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.803272 (E_RNA) where: Base-Base interactions energy: -1257.077 where: short stacking energy: -487.902 Base-Backbone interact. energy: -1.174 local terms energy: -529.551994 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -107.542 flat angles C4'-P-C4' energy: -123.190 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -133.646 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: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2677.464813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.464813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.464813 (E_RNA) where: Base-Base interactions energy: -1942.921 where: short stacking energy: -742.358 Base-Backbone interact. energy: -1.513 local terms energy: -733.030939 where: bonds (distance) C4'-P energy: -119.900 bonds (distance) P-C4' energy: -126.860 flat angles C4'-P-C4' energy: -151.063 flat angles P-C4'-P energy: -110.106 tors. eta vs tors. theta energy: -225.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2590.964203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.964203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.964203 (E_RNA) where: Base-Base interactions energy: -1867.945 where: short stacking energy: -730.527 Base-Backbone interact. energy: -2.508 local terms energy: -720.510627 where: bonds (distance) C4'-P energy: -116.895 bonds (distance) P-C4' energy: -126.015 flat angles C4'-P-C4' energy: -142.409 flat angles P-C4'-P energy: -109.794 tors. eta vs tors. theta energy: -225.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2551.554123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.554123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.554123 (E_RNA) where: Base-Base interactions energy: -1868.614 where: short stacking energy: -722.260 Base-Backbone interact. energy: -0.892 local terms energy: -682.048118 where: bonds (distance) C4'-P energy: -124.069 bonds (distance) P-C4' energy: -108.522 flat angles C4'-P-C4' energy: -139.699 flat angles P-C4'-P energy: -101.311 tors. eta vs tors. theta energy: -208.447 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: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2545.906961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.906961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.906961 (E_RNA) where: Base-Base interactions energy: -1873.415 where: short stacking energy: -726.089 Base-Backbone interact. energy: -1.982 local terms energy: -670.510449 where: bonds (distance) C4'-P energy: -95.702 bonds (distance) P-C4' energy: -112.035 flat angles C4'-P-C4' energy: -149.029 flat angles P-C4'-P energy: -98.102 tors. eta vs tors. theta energy: -215.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2474.808130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.808130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.808130 (E_RNA) where: Base-Base interactions energy: -1809.715 where: short stacking energy: -725.702 Base-Backbone interact. energy: -0.349 local terms energy: -664.743962 where: bonds (distance) C4'-P energy: -110.771 bonds (distance) P-C4' energy: -104.531 flat angles C4'-P-C4' energy: -141.383 flat angles P-C4'-P energy: -96.564 tors. eta vs tors. theta energy: -211.494 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: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2369.753307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.753307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.753307 (E_RNA) where: Base-Base interactions energy: -1721.162 where: short stacking energy: -665.433 Base-Backbone interact. energy: -1.449 local terms energy: -647.142586 where: bonds (distance) C4'-P energy: -108.535 bonds (distance) P-C4' energy: -112.792 flat angles C4'-P-C4' energy: -129.113 flat angles P-C4'-P energy: -89.596 tors. eta vs tors. theta energy: -207.106 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: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2347.481694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.481694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.481694 (E_RNA) where: Base-Base interactions energy: -1731.991 where: short stacking energy: -661.998 Base-Backbone interact. energy: 0.229 local terms energy: -615.719395 where: bonds (distance) C4'-P energy: -110.302 bonds (distance) P-C4' energy: -87.879 flat angles C4'-P-C4' energy: -128.818 flat angles P-C4'-P energy: -92.964 tors. eta vs tors. theta energy: -195.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -2360.720971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.720971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.720971 (E_RNA) where: Base-Base interactions energy: -1743.545 where: short stacking energy: -672.739 Base-Backbone interact. energy: -2.245 local terms energy: -614.931016 where: bonds (distance) C4'-P energy: -81.923 bonds (distance) P-C4' energy: -109.300 flat angles C4'-P-C4' energy: -122.837 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: -212.861 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: 357 Temperature: 1.300000 Total energy: -1970.020490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.020490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.020490 (E_RNA) where: Base-Base interactions energy: -1433.386 where: short stacking energy: -570.150 Base-Backbone interact. energy: -1.137 local terms energy: -535.498401 where: bonds (distance) C4'-P energy: -91.053 bonds (distance) P-C4' energy: -96.881 flat angles C4'-P-C4' energy: -114.848 flat angles P-C4'-P energy: -73.874 tors. eta vs tors. theta energy: -158.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1773.445555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.445555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.445555 (E_RNA) where: Base-Base interactions energy: -1249.416 where: short stacking energy: -482.357 Base-Backbone interact. energy: 1.936 local terms energy: -525.965986 where: bonds (distance) C4'-P energy: -95.045 bonds (distance) P-C4' energy: -111.304 flat angles C4'-P-C4' energy: -108.186 flat angles P-C4'-P energy: -70.918 tors. eta vs tors. theta energy: -140.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2648.150621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.150621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.150621 (E_RNA) where: Base-Base interactions energy: -1911.190 where: short stacking energy: -755.395 Base-Backbone interact. energy: -1.130 local terms energy: -735.830926 where: bonds (distance) C4'-P energy: -124.576 bonds (distance) P-C4' energy: -129.509 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -106.954 tors. eta vs tors. theta energy: -225.459 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: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2626.054677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.054677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.054677 (E_RNA) where: Base-Base interactions energy: -1910.351 where: short stacking energy: -741.979 Base-Backbone interact. energy: -0.953 local terms energy: -714.751273 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -130.024 flat angles C4'-P-C4' energy: -146.429 flat angles P-C4'-P energy: -101.465 tors. eta vs tors. theta energy: -216.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2552.385215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.385215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.385215 (E_RNA) where: Base-Base interactions energy: -1861.261 where: short stacking energy: -738.619 Base-Backbone interact. energy: -1.028 local terms energy: -690.096284 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -105.168 flat angles C4'-P-C4' energy: -137.714 flat angles P-C4'-P energy: -96.983 tors. eta vs tors. theta energy: -218.524 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: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2549.626218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.626218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.626218 (E_RNA) where: Base-Base interactions energy: -1871.543 where: short stacking energy: -712.739 Base-Backbone interact. energy: 1.216 local terms energy: -679.298610 where: bonds (distance) C4'-P energy: -123.814 bonds (distance) P-C4' energy: -113.731 flat angles C4'-P-C4' energy: -137.317 flat angles P-C4'-P energy: -91.435 tors. eta vs tors. theta energy: -213.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2438.404606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.404606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.404606 (E_RNA) where: Base-Base interactions energy: -1778.684 where: short stacking energy: -709.592 Base-Backbone interact. energy: -0.504 local terms energy: -659.216630 where: bonds (distance) C4'-P energy: -114.821 bonds (distance) P-C4' energy: -118.470 flat angles C4'-P-C4' energy: -136.608 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -206.949 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: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2366.502515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.502515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.502515 (E_RNA) where: Base-Base interactions energy: -1758.644 where: short stacking energy: -686.641 Base-Backbone interact. energy: 3.392 local terms energy: -611.250175 where: bonds (distance) C4'-P energy: -86.381 bonds (distance) P-C4' energy: -97.334 flat angles C4'-P-C4' energy: -138.941 flat angles P-C4'-P energy: -90.546 tors. eta vs tors. theta energy: -198.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2395.023331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.023331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.023331 (E_RNA) where: Base-Base interactions energy: -1752.851 where: short stacking energy: -674.885 Base-Backbone interact. energy: 0.865 local terms energy: -643.037494 where: bonds (distance) C4'-P energy: -97.993 bonds (distance) P-C4' energy: -97.884 flat angles C4'-P-C4' energy: -141.156 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -203.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2348.532992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.532992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.532992 (E_RNA) where: Base-Base interactions energy: -1727.932 where: short stacking energy: -667.048 Base-Backbone interact. energy: 1.781 local terms energy: -622.381778 where: bonds (distance) C4'-P energy: -94.099 bonds (distance) P-C4' energy: -98.583 flat angles C4'-P-C4' energy: -134.555 flat angles P-C4'-P energy: -86.420 tors. eta vs tors. theta energy: -208.724 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: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1953.152128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.152128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.152128 (E_RNA) where: Base-Base interactions energy: -1427.896 where: short stacking energy: -552.684 Base-Backbone interact. energy: 1.892 local terms energy: -527.148062 where: bonds (distance) C4'-P energy: -80.139 bonds (distance) P-C4' energy: -86.978 flat angles C4'-P-C4' energy: -118.711 flat angles P-C4'-P energy: -86.550 tors. eta vs tors. theta energy: -154.771 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: 10, replica: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1787.875410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.875410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.875410 (E_RNA) where: Base-Base interactions energy: -1239.696 where: short stacking energy: -486.171 Base-Backbone interact. energy: -1.042 local terms energy: -547.137234 where: bonds (distance) C4'-P energy: -92.381 bonds (distance) P-C4' energy: -113.601 flat angles C4'-P-C4' energy: -117.070 flat angles P-C4'-P energy: -83.645 tors. eta vs tors. theta energy: -140.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2663.649644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.649644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.649644 (E_RNA) where: Base-Base interactions energy: -1939.315 where: short stacking energy: -747.324 Base-Backbone interact. energy: -0.877 local terms energy: -723.457802 where: bonds (distance) C4'-P energy: -116.962 bonds (distance) P-C4' energy: -122.543 flat angles C4'-P-C4' energy: -144.012 flat angles P-C4'-P energy: -116.288 tors. eta vs tors. theta energy: -223.652 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: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2653.617625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.617625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.617625 (E_RNA) where: Base-Base interactions energy: -1924.971 where: short stacking energy: -752.555 Base-Backbone interact. energy: 2.129 local terms energy: -730.775994 where: bonds (distance) C4'-P energy: -126.971 bonds (distance) P-C4' energy: -121.370 flat angles C4'-P-C4' energy: -151.750 flat angles P-C4'-P energy: -104.776 tors. eta vs tors. theta energy: -225.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2578.236996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.236996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.236996 (E_RNA) where: Base-Base interactions energy: -1888.537 where: short stacking energy: -716.201 Base-Backbone interact. energy: -0.989 local terms energy: -688.711102 where: bonds (distance) C4'-P energy: -118.070 bonds (distance) P-C4' energy: -126.825 flat angles C4'-P-C4' energy: -134.502 flat angles P-C4'-P energy: -95.240 tors. eta vs tors. theta energy: -214.074 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: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2548.367352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.367352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.367352 (E_RNA) where: Base-Base interactions energy: -1845.114 where: short stacking energy: -702.836 Base-Backbone interact. energy: 0.213 local terms energy: -703.466344 where: bonds (distance) C4'-P energy: -116.173 bonds (distance) P-C4' energy: -125.775 flat angles C4'-P-C4' energy: -145.298 flat angles P-C4'-P energy: -105.350 tors. eta vs tors. theta energy: -210.871 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: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2437.284507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.284507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.284507 (E_RNA) where: Base-Base interactions energy: -1761.392 where: short stacking energy: -697.731 Base-Backbone interact. energy: -1.041 local terms energy: -674.851970 where: bonds (distance) C4'-P energy: -97.048 bonds (distance) P-C4' energy: -115.446 flat angles C4'-P-C4' energy: -146.250 flat angles P-C4'-P energy: -101.519 tors. eta vs tors. theta energy: -214.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2478.529889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.529889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.529889 (E_RNA) where: Base-Base interactions energy: -1800.323 where: short stacking energy: -692.136 Base-Backbone interact. energy: -1.179 local terms energy: -677.028360 where: bonds (distance) C4'-P energy: -110.751 bonds (distance) P-C4' energy: -115.900 flat angles C4'-P-C4' energy: -136.726 flat angles P-C4'-P energy: -96.771 tors. eta vs tors. theta energy: -216.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2303.776071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.776071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.776071 (E_RNA) where: Base-Base interactions energy: -1682.350 where: short stacking energy: -660.084 Base-Backbone interact. energy: 0.623 local terms energy: -622.049381 where: bonds (distance) C4'-P energy: -100.078 bonds (distance) P-C4' energy: -106.187 flat angles C4'-P-C4' energy: -130.292 flat angles P-C4'-P energy: -88.848 tors. eta vs tors. theta energy: -196.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2287.205244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.205244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.205244 (E_RNA) where: Base-Base interactions energy: -1685.732 where: short stacking energy: -648.658 Base-Backbone interact. energy: 1.568 local terms energy: -603.040737 where: bonds (distance) C4'-P energy: -75.042 bonds (distance) P-C4' energy: -103.441 flat angles C4'-P-C4' energy: -137.280 flat angles P-C4'-P energy: -88.981 tors. eta vs tors. theta energy: -198.295 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -2006.647353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.647353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.647353 (E_RNA) where: Base-Base interactions energy: -1468.120 where: short stacking energy: -568.516 Base-Backbone interact. energy: -1.327 local terms energy: -537.200871 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -90.504 flat angles C4'-P-C4' energy: -111.807 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -160.864 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: 10, replica: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1841.779537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.779537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.779537 (E_RNA) where: Base-Base interactions energy: -1297.520 where: short stacking energy: -509.213 Base-Backbone interact. energy: -0.824 local terms energy: -543.435766 where: bonds (distance) C4'-P energy: -103.575 bonds (distance) P-C4' energy: -98.771 flat angles C4'-P-C4' energy: -115.835 flat angles P-C4'-P energy: -75.102 tors. eta vs tors. theta energy: -150.153 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: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2677.647493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.647493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.647493 (E_RNA) where: Base-Base interactions energy: -1943.853 where: short stacking energy: -756.694 Base-Backbone interact. energy: 1.503 local terms energy: -735.297913 where: bonds (distance) C4'-P energy: -131.075 bonds (distance) P-C4' energy: -128.066 flat angles C4'-P-C4' energy: -144.379 flat angles P-C4'-P energy: -106.830 tors. eta vs tors. theta energy: -224.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2640.165369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.165369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.165369 (E_RNA) where: Base-Base interactions energy: -1916.465 where: short stacking energy: -734.616 Base-Backbone interact. energy: -0.155 local terms energy: -723.545618 where: bonds (distance) C4'-P energy: -124.943 bonds (distance) P-C4' energy: -140.809 flat angles C4'-P-C4' energy: -137.548 flat angles P-C4'-P energy: -98.510 tors. eta vs tors. theta energy: -221.735 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: 360 Temperature: 1.000000 Total energy: -2559.303939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.303939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.303939 (E_RNA) where: Base-Base interactions energy: -1871.218 where: short stacking energy: -710.353 Base-Backbone interact. energy: 2.438 local terms energy: -690.524530 where: bonds (distance) C4'-P energy: -118.793 bonds (distance) P-C4' energy: -112.594 flat angles C4'-P-C4' energy: -136.609 flat angles P-C4'-P energy: -104.141 tors. eta vs tors. theta energy: -218.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2554.899789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.899789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.899789 (E_RNA) where: Base-Base interactions energy: -1860.296 where: short stacking energy: -706.199 Base-Backbone interact. energy: -0.888 local terms energy: -693.715642 where: bonds (distance) C4'-P energy: -104.702 bonds (distance) P-C4' energy: -127.041 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -111.018 tors. eta vs tors. theta energy: -207.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2492.842841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.842841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.842841 (E_RNA) where: Base-Base interactions energy: -1809.492 where: short stacking energy: -717.711 Base-Backbone interact. energy: 3.265 local terms energy: -686.616804 where: bonds (distance) C4'-P energy: -119.100 bonds (distance) P-C4' energy: -110.727 flat angles C4'-P-C4' energy: -140.221 flat angles P-C4'-P energy: -99.033 tors. eta vs tors. theta energy: -217.536 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: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2418.525301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.525301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.525301 (E_RNA) where: Base-Base interactions energy: -1775.828 where: short stacking energy: -696.417 Base-Backbone interact. energy: 3.616 local terms energy: -646.312985 where: bonds (distance) C4'-P energy: -113.419 bonds (distance) P-C4' energy: -90.867 flat angles C4'-P-C4' energy: -134.828 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -205.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2327.315013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.315013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.315013 (E_RNA) where: Base-Base interactions energy: -1714.024 where: short stacking energy: -666.546 Base-Backbone interact. energy: -1.103 local terms energy: -612.187602 where: bonds (distance) C4'-P energy: -122.328 bonds (distance) P-C4' energy: -80.719 flat angles C4'-P-C4' energy: -128.883 flat angles P-C4'-P energy: -85.781 tors. eta vs tors. theta energy: -194.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2267.508009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.508009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.508009 (E_RNA) where: Base-Base interactions energy: -1666.136 where: short stacking energy: -646.534 Base-Backbone interact. energy: 1.970 local terms energy: -603.342550 where: bonds (distance) C4'-P energy: -117.274 bonds (distance) P-C4' energy: -87.308 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -64.255 tors. eta vs tors. theta energy: -198.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1961.592627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.592627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.592627 (E_RNA) where: Base-Base interactions energy: -1412.919 where: short stacking energy: -542.822 Base-Backbone interact. energy: -1.237 local terms energy: -547.435798 where: bonds (distance) C4'-P energy: -94.894 bonds (distance) P-C4' energy: -92.625 flat angles C4'-P-C4' energy: -130.008 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -153.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1805.896183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.896183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.896183 (E_RNA) where: Base-Base interactions energy: -1297.559 where: short stacking energy: -532.740 Base-Backbone interact. energy: 1.669 local terms energy: -510.006238 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -88.135 flat angles C4'-P-C4' energy: -125.963 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: -148.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2649.491507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.491507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.491507 (E_RNA) where: Base-Base interactions energy: -1936.827 where: short stacking energy: -761.526 Base-Backbone interact. energy: 0.507 local terms energy: -713.171480 where: bonds (distance) C4'-P energy: -124.907 bonds (distance) P-C4' energy: -111.367 flat angles C4'-P-C4' energy: -145.312 flat angles P-C4'-P energy: -106.097 tors. eta vs tors. theta energy: -225.489 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: 361 Temperature: 0.950000 Total energy: -2642.717212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.717212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.717212 (E_RNA) where: Base-Base interactions energy: -1943.003 where: short stacking energy: -749.062 Base-Backbone interact. energy: -1.625 local terms energy: -698.089828 where: bonds (distance) C4'-P energy: -121.356 bonds (distance) P-C4' energy: -108.322 flat angles C4'-P-C4' energy: -144.374 flat angles P-C4'-P energy: -101.420 tors. eta vs tors. theta energy: -222.618 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2572.197554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.197554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.197554 (E_RNA) where: Base-Base interactions energy: -1894.604 where: short stacking energy: -724.662 Base-Backbone interact. energy: -0.614 local terms energy: -676.979892 where: bonds (distance) C4'-P energy: -92.097 bonds (distance) P-C4' energy: -115.341 flat angles C4'-P-C4' energy: -143.845 flat angles P-C4'-P energy: -108.791 tors. eta vs tors. theta energy: -216.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2556.818538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.818538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.818538 (E_RNA) where: Base-Base interactions energy: -1875.358 where: short stacking energy: -700.580 Base-Backbone interact. energy: 1.770 local terms energy: -683.230981 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -105.248 flat angles C4'-P-C4' energy: -150.066 flat angles P-C4'-P energy: -103.032 tors. eta vs tors. theta energy: -211.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2491.075675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.075675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.075675 (E_RNA) where: Base-Base interactions energy: -1833.155 where: short stacking energy: -707.221 Base-Backbone interact. energy: -2.125 local terms energy: -655.795857 where: bonds (distance) C4'-P energy: -112.433 bonds (distance) P-C4' energy: -103.342 flat angles C4'-P-C4' energy: -142.066 flat angles P-C4'-P energy: -88.523 tors. eta vs tors. theta energy: -209.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2415.810957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.810957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.810957 (E_RNA) where: Base-Base interactions energy: -1749.745 where: short stacking energy: -700.148 Base-Backbone interact. energy: -2.355 local terms energy: -663.710745 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -109.229 flat angles C4'-P-C4' energy: -142.947 flat angles P-C4'-P energy: -94.899 tors. eta vs tors. theta energy: -207.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2346.710523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.710523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.710523 (E_RNA) where: Base-Base interactions energy: -1717.962 where: short stacking energy: -664.033 Base-Backbone interact. energy: 0.488 local terms energy: -629.236436 where: bonds (distance) C4'-P energy: -114.717 bonds (distance) P-C4' energy: -98.071 flat angles C4'-P-C4' energy: -124.303 flat angles P-C4'-P energy: -93.948 tors. eta vs tors. theta energy: -198.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2267.892781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.892781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.892781 (E_RNA) where: Base-Base interactions energy: -1667.630 where: short stacking energy: -632.374 Base-Backbone interact. energy: -0.604 local terms energy: -599.659027 where: bonds (distance) C4'-P energy: -82.184 bonds (distance) P-C4' energy: -92.461 flat angles C4'-P-C4' energy: -133.693 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -194.676 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1926.591413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.591413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.591413 (E_RNA) where: Base-Base interactions energy: -1352.388 where: short stacking energy: -539.208 Base-Backbone interact. energy: 0.286 local terms energy: -574.489755 where: bonds (distance) C4'-P energy: -102.828 bonds (distance) P-C4' energy: -106.634 flat angles C4'-P-C4' energy: -132.588 flat angles P-C4'-P energy: -73.281 tors. eta vs tors. theta energy: -159.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1722.867028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.867028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.867028 (E_RNA) where: Base-Base interactions energy: -1214.584 where: short stacking energy: -480.153 Base-Backbone interact. energy: -1.216 local terms energy: -507.067364 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -101.462 flat angles C4'-P-C4' energy: -108.821 flat angles P-C4'-P energy: -75.915 tors. eta vs tors. theta energy: -143.380 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: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2683.077539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.077539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.077539 (E_RNA) where: Base-Base interactions energy: -1952.473 where: short stacking energy: -769.848 Base-Backbone interact. energy: -0.797 local terms energy: -729.807737 where: bonds (distance) C4'-P energy: -119.561 bonds (distance) P-C4' energy: -125.705 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -102.197 tors. eta vs tors. theta energy: -227.771 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: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2646.555032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.555032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.555032 (E_RNA) where: Base-Base interactions energy: -1917.160 where: short stacking energy: -756.882 Base-Backbone interact. energy: -2.459 local terms energy: -726.935671 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -125.969 flat angles C4'-P-C4' energy: -141.206 flat angles P-C4'-P energy: -107.182 tors. eta vs tors. theta energy: -226.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2575.568062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.568062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.568062 (E_RNA) where: Base-Base interactions energy: -1857.800 where: short stacking energy: -711.997 Base-Backbone interact. energy: -2.142 local terms energy: -715.625997 where: bonds (distance) C4'-P energy: -112.403 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -151.872 flat angles P-C4'-P energy: -107.029 tors. eta vs tors. theta energy: -217.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2561.437429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.437429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.437429 (E_RNA) where: Base-Base interactions energy: -1892.291 where: short stacking energy: -711.611 Base-Backbone interact. energy: 2.650 local terms energy: -671.796386 where: bonds (distance) C4'-P energy: -107.424 bonds (distance) P-C4' energy: -109.548 flat angles C4'-P-C4' energy: -141.012 flat angles P-C4'-P energy: -98.966 tors. eta vs tors. theta energy: -214.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2499.562682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.562682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.562682 (E_RNA) where: Base-Base interactions energy: -1821.687 where: short stacking energy: -717.730 Base-Backbone interact. energy: 2.955 local terms energy: -680.830595 where: bonds (distance) C4'-P energy: -107.121 bonds (distance) P-C4' energy: -108.660 flat angles C4'-P-C4' energy: -149.372 flat angles P-C4'-P energy: -95.192 tors. eta vs tors. theta energy: -220.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2423.315543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.315543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.315543 (E_RNA) where: Base-Base interactions energy: -1765.957 where: short stacking energy: -689.653 Base-Backbone interact. energy: -0.052 local terms energy: -657.307036 where: bonds (distance) C4'-P energy: -108.665 bonds (distance) P-C4' energy: -102.163 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -95.740 tors. eta vs tors. theta energy: -206.508 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: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2320.032308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.032308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.032308 (E_RNA) where: Base-Base interactions energy: -1686.188 where: short stacking energy: -648.150 Base-Backbone interact. energy: -1.044 local terms energy: -632.800274 where: bonds (distance) C4'-P energy: -103.357 bonds (distance) P-C4' energy: -100.343 flat angles C4'-P-C4' energy: -127.035 flat angles P-C4'-P energy: -90.624 tors. eta vs tors. theta energy: -211.440 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: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2350.725784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.725784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.725784 (E_RNA) where: Base-Base interactions energy: -1726.651 where: short stacking energy: -663.034 Base-Backbone interact. energy: 2.421 local terms energy: -626.495256 where: bonds (distance) C4'-P energy: -99.651 bonds (distance) P-C4' energy: -101.603 flat angles C4'-P-C4' energy: -142.054 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -205.881 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: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1956.176008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.176008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.176008 (E_RNA) where: Base-Base interactions energy: -1423.475 where: short stacking energy: -558.941 Base-Backbone interact. energy: 5.658 local terms energy: -538.358906 where: bonds (distance) C4'-P energy: -99.774 bonds (distance) P-C4' energy: -95.384 flat angles C4'-P-C4' energy: -114.960 flat angles P-C4'-P energy: -73.881 tors. eta vs tors. theta energy: -154.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1693.053379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.053379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.053379 (E_RNA) where: Base-Base interactions energy: -1190.337 where: short stacking energy: -467.336 Base-Backbone interact. energy: -4.970 local terms energy: -497.745747 where: bonds (distance) C4'-P energy: -88.742 bonds (distance) P-C4' energy: -119.392 flat angles C4'-P-C4' energy: -108.043 flat angles P-C4'-P energy: -62.096 tors. eta vs tors. theta energy: -119.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2690.756488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.756488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.756488 (E_RNA) where: Base-Base interactions energy: -1951.889 where: short stacking energy: -749.228 Base-Backbone interact. energy: -1.215 local terms energy: -737.651962 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -135.583 flat angles C4'-P-C4' energy: -142.818 flat angles P-C4'-P energy: -106.980 tors. eta vs tors. theta energy: -224.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2635.321568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.321568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.321568 (E_RNA) where: Base-Base interactions energy: -1924.759 where: short stacking energy: -758.877 Base-Backbone interact. energy: -2.859 local terms energy: -707.703025 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -146.829 flat angles P-C4'-P energy: -106.705 tors. eta vs tors. theta energy: -218.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2580.288117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.288117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.288117 (E_RNA) where: Base-Base interactions energy: -1889.086 where: short stacking energy: -727.519 Base-Backbone interact. energy: -1.574 local terms energy: -689.628276 where: bonds (distance) C4'-P energy: -113.262 bonds (distance) P-C4' energy: -120.855 flat angles C4'-P-C4' energy: -135.840 flat angles P-C4'-P energy: -102.020 tors. eta vs tors. theta energy: -217.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2557.079851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.079851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.079851 (E_RNA) where: Base-Base interactions energy: -1890.203 where: short stacking energy: -720.407 Base-Backbone interact. energy: 8.345 local terms energy: -675.221474 where: bonds (distance) C4'-P energy: -113.972 bonds (distance) P-C4' energy: -106.616 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -101.352 tors. eta vs tors. theta energy: -215.830 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: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2478.725092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.725092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.725092 (E_RNA) where: Base-Base interactions energy: -1806.663 where: short stacking energy: -686.139 Base-Backbone interact. energy: -3.152 local terms energy: -668.910608 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -112.016 flat angles C4'-P-C4' energy: -131.328 flat angles P-C4'-P energy: -100.173 tors. eta vs tors. theta energy: -211.620 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: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2416.718798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.718798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.718798 (E_RNA) where: Base-Base interactions energy: -1767.171 where: short stacking energy: -672.855 Base-Backbone interact. energy: -0.434 local terms energy: -649.113446 where: bonds (distance) C4'-P energy: -101.006 bonds (distance) P-C4' energy: -121.609 flat angles C4'-P-C4' energy: -124.978 flat angles P-C4'-P energy: -90.011 tors. eta vs tors. theta energy: -211.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2327.695226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.695226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.695226 (E_RNA) where: Base-Base interactions energy: -1710.028 where: short stacking energy: -668.739 Base-Backbone interact. energy: 2.106 local terms energy: -619.773475 where: bonds (distance) C4'-P energy: -102.968 bonds (distance) P-C4' energy: -100.282 flat angles C4'-P-C4' energy: -130.817 flat angles P-C4'-P energy: -88.568 tors. eta vs tors. theta energy: -197.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2261.816032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.816032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.816032 (E_RNA) where: Base-Base interactions energy: -1648.320 where: short stacking energy: -633.294 Base-Backbone interact. energy: 0.155 local terms energy: -613.650926 where: bonds (distance) C4'-P energy: -107.490 bonds (distance) P-C4' energy: -106.277 flat angles C4'-P-C4' energy: -118.127 flat angles P-C4'-P energy: -87.591 tors. eta vs tors. theta energy: -194.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -2013.411289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.411289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.411289 (E_RNA) where: Base-Base interactions energy: -1446.199 where: short stacking energy: -576.952 Base-Backbone interact. energy: 1.320 local terms energy: -568.532044 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -114.776 flat angles C4'-P-C4' energy: -121.256 flat angles P-C4'-P energy: -74.920 tors. eta vs tors. theta energy: -167.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1649.389074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.389074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.389074 (E_RNA) where: Base-Base interactions energy: -1150.727 where: short stacking energy: -470.695 Base-Backbone interact. energy: -0.002 local terms energy: -498.660659 where: bonds (distance) C4'-P energy: -100.957 bonds (distance) P-C4' energy: -101.808 flat angles C4'-P-C4' energy: -104.618 flat angles P-C4'-P energy: -72.949 tors. eta vs tors. theta energy: -118.329 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: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2674.865115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.865115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.865115 (E_RNA) where: Base-Base interactions energy: -1950.273 where: short stacking energy: -745.438 Base-Backbone interact. energy: -2.670 local terms energy: -721.922329 where: bonds (distance) C4'-P energy: -141.463 bonds (distance) P-C4' energy: -126.584 flat angles C4'-P-C4' energy: -147.710 flat angles P-C4'-P energy: -89.508 tors. eta vs tors. theta energy: -216.657 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: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2650.912400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.912400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.912400 (E_RNA) where: Base-Base interactions energy: -1934.095 where: short stacking energy: -751.464 Base-Backbone interact. energy: 0.597 local terms energy: -717.414385 where: bonds (distance) C4'-P energy: -113.112 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -154.792 flat angles P-C4'-P energy: -102.997 tors. eta vs tors. theta energy: -223.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2618.177844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.177844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.177844 (E_RNA) where: Base-Base interactions energy: -1923.328 where: short stacking energy: -738.664 Base-Backbone interact. energy: 6.930 local terms energy: -701.779325 where: bonds (distance) C4'-P energy: -131.716 bonds (distance) P-C4' energy: -117.319 flat angles C4'-P-C4' energy: -137.196 flat angles P-C4'-P energy: -99.437 tors. eta vs tors. theta energy: -216.111 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: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2512.997584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.997584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.997584 (E_RNA) where: Base-Base interactions energy: -1867.850 where: short stacking energy: -721.132 Base-Backbone interact. energy: -0.320 local terms energy: -644.826908 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -94.005 flat angles C4'-P-C4' energy: -138.170 flat angles P-C4'-P energy: -92.873 tors. eta vs tors. theta energy: -209.654 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: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2507.175788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.175788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.175788 (E_RNA) where: Base-Base interactions energy: -1819.790 where: short stacking energy: -716.568 Base-Backbone interact. energy: -0.888 local terms energy: -686.498058 where: bonds (distance) C4'-P energy: -121.742 bonds (distance) P-C4' energy: -100.970 flat angles C4'-P-C4' energy: -145.843 flat angles P-C4'-P energy: -98.046 tors. eta vs tors. theta energy: -219.897 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: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2395.358084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.358084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.358084 (E_RNA) where: Base-Base interactions energy: -1754.952 where: short stacking energy: -682.928 Base-Backbone interact. energy: -1.976 local terms energy: -638.430255 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -99.768 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -93.972 tors. eta vs tors. theta energy: -204.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2320.485959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.485959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.485959 (E_RNA) where: Base-Base interactions energy: -1673.928 where: short stacking energy: -648.894 Base-Backbone interact. energy: -0.859 local terms energy: -645.698670 where: bonds (distance) C4'-P energy: -112.632 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -135.449 flat angles P-C4'-P energy: -83.928 tors. eta vs tors. theta energy: -204.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2222.659295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.659295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.659295 (E_RNA) where: Base-Base interactions energy: -1598.731 where: short stacking energy: -612.613 Base-Backbone interact. energy: 3.294 local terms energy: -627.221403 where: bonds (distance) C4'-P energy: -113.680 bonds (distance) P-C4' energy: -112.241 flat angles C4'-P-C4' energy: -121.633 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -195.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1970.031043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.031043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.031043 (E_RNA) where: Base-Base interactions energy: -1434.677 where: short stacking energy: -547.852 Base-Backbone interact. energy: -0.168 local terms energy: -535.186785 where: bonds (distance) C4'-P energy: -89.699 bonds (distance) P-C4' energy: -93.519 flat angles C4'-P-C4' energy: -115.854 flat angles P-C4'-P energy: -76.796 tors. eta vs tors. theta energy: -159.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1671.942111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.942111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.942111 (E_RNA) where: Base-Base interactions energy: -1171.621 where: short stacking energy: -470.183 Base-Backbone interact. energy: 1.330 local terms energy: -501.650607 where: bonds (distance) C4'-P energy: -103.541 bonds (distance) P-C4' energy: -107.811 flat angles C4'-P-C4' energy: -96.584 flat angles P-C4'-P energy: -66.164 tors. eta vs tors. theta energy: -127.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2665.970706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.970706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.970706 (E_RNA) where: Base-Base interactions energy: -1923.180 where: short stacking energy: -733.719 Base-Backbone interact. energy: -3.165 local terms energy: -739.625096 where: bonds (distance) C4'-P energy: -132.258 bonds (distance) P-C4' energy: -126.995 flat angles C4'-P-C4' energy: -148.399 flat angles P-C4'-P energy: -107.299 tors. eta vs tors. theta energy: -224.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2658.873942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.873942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.873942 (E_RNA) where: Base-Base interactions energy: -1944.082 where: short stacking energy: -755.270 Base-Backbone interact. energy: -0.966 local terms energy: -713.826506 where: bonds (distance) C4'-P energy: -108.931 bonds (distance) P-C4' energy: -125.228 flat angles C4'-P-C4' energy: -150.598 flat angles P-C4'-P energy: -106.700 tors. eta vs tors. theta energy: -222.370 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: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2640.487969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.487969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.487969 (E_RNA) where: Base-Base interactions energy: -1926.526 where: short stacking energy: -731.719 Base-Backbone interact. energy: -1.646 local terms energy: -712.315855 where: bonds (distance) C4'-P energy: -118.080 bonds (distance) P-C4' energy: -124.776 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -103.070 tors. eta vs tors. theta energy: -222.095 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: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2532.524588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.524588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.524588 (E_RNA) where: Base-Base interactions energy: -1872.100 where: short stacking energy: -741.829 Base-Backbone interact. energy: -0.319 local terms energy: -660.106144 where: bonds (distance) C4'-P energy: -95.188 bonds (distance) P-C4' energy: -116.164 flat angles C4'-P-C4' energy: -134.375 flat angles P-C4'-P energy: -87.585 tors. eta vs tors. theta energy: -226.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2514.414366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.414366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.414366 (E_RNA) where: Base-Base interactions energy: -1841.695 where: short stacking energy: -708.480 Base-Backbone interact. energy: -1.507 local terms energy: -671.212387 where: bonds (distance) C4'-P energy: -119.344 bonds (distance) P-C4' energy: -97.996 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -99.533 tors. eta vs tors. theta energy: -211.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2424.840410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.840410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.840410 (E_RNA) where: Base-Base interactions energy: -1746.782 where: short stacking energy: -694.957 Base-Backbone interact. energy: -0.132 local terms energy: -677.925992 where: bonds (distance) C4'-P energy: -110.949 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -141.416 flat angles P-C4'-P energy: -104.231 tors. eta vs tors. theta energy: -212.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2311.831835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.831835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.831835 (E_RNA) where: Base-Base interactions energy: -1685.828 where: short stacking energy: -649.196 Base-Backbone interact. energy: 0.895 local terms energy: -626.898611 where: bonds (distance) C4'-P energy: -107.684 bonds (distance) P-C4' energy: -103.246 flat angles C4'-P-C4' energy: -134.036 flat angles P-C4'-P energy: -87.503 tors. eta vs tors. theta energy: -194.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2261.422445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.422445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.422445 (E_RNA) where: Base-Base interactions energy: -1623.095 where: short stacking energy: -643.907 Base-Backbone interact. energy: 0.147 local terms energy: -638.474789 where: bonds (distance) C4'-P energy: -118.921 bonds (distance) P-C4' energy: -122.601 flat angles C4'-P-C4' energy: -132.399 flat angles P-C4'-P energy: -75.430 tors. eta vs tors. theta energy: -189.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1976.967474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.967474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.967474 (E_RNA) where: Base-Base interactions energy: -1404.359 where: short stacking energy: -555.046 Base-Backbone interact. energy: -0.896 local terms energy: -571.712868 where: bonds (distance) C4'-P energy: -111.399 bonds (distance) P-C4' energy: -96.058 flat angles C4'-P-C4' energy: -114.766 flat angles P-C4'-P energy: -84.228 tors. eta vs tors. theta energy: -165.262 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: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1655.205004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.205004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.205004 (E_RNA) where: Base-Base interactions energy: -1196.980 where: short stacking energy: -475.505 Base-Backbone interact. energy: 0.483 local terms energy: -458.707351 where: bonds (distance) C4'-P energy: -89.001 bonds (distance) P-C4' energy: -92.967 flat angles C4'-P-C4' energy: -106.520 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: -106.874 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: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2663.033957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.033957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.033957 (E_RNA) where: Base-Base interactions energy: -1951.663 where: short stacking energy: -767.271 Base-Backbone interact. energy: -2.316 local terms energy: -709.054117 where: bonds (distance) C4'-P energy: -120.306 bonds (distance) P-C4' energy: -114.470 flat angles C4'-P-C4' energy: -149.817 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -223.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2644.460251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.460251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.460251 (E_RNA) where: Base-Base interactions energy: -1932.458 where: short stacking energy: -735.257 Base-Backbone interact. energy: -0.382 local terms energy: -711.620190 where: bonds (distance) C4'-P energy: -124.550 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -141.122 flat angles P-C4'-P energy: -96.679 tors. eta vs tors. theta energy: -221.984 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: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2579.657238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.657238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.657238 (E_RNA) where: Base-Base interactions energy: -1851.151 where: short stacking energy: -731.374 Base-Backbone interact. energy: 0.833 local terms energy: -729.339277 where: bonds (distance) C4'-P energy: -129.158 bonds (distance) P-C4' energy: -128.095 flat angles C4'-P-C4' energy: -144.283 flat angles P-C4'-P energy: -97.333 tors. eta vs tors. theta energy: -230.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2571.612554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.612554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.612554 (E_RNA) where: Base-Base interactions energy: -1877.215 where: short stacking energy: -716.077 Base-Backbone interact. energy: -1.296 local terms energy: -693.101816 where: bonds (distance) C4'-P energy: -115.798 bonds (distance) P-C4' energy: -117.044 flat angles C4'-P-C4' energy: -146.492 flat angles P-C4'-P energy: -94.093 tors. eta vs tors. theta energy: -219.675 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: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2445.532230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.532230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.532230 (E_RNA) where: Base-Base interactions energy: -1781.992 where: short stacking energy: -694.383 Base-Backbone interact. energy: -0.535 local terms energy: -663.005198 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -110.617 flat angles C4'-P-C4' energy: -134.739 flat angles P-C4'-P energy: -87.738 tors. eta vs tors. theta energy: -202.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2454.858853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.858853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.858853 (E_RNA) where: Base-Base interactions energy: -1791.446 where: short stacking energy: -677.720 Base-Backbone interact. energy: -0.673 local terms energy: -662.739595 where: bonds (distance) C4'-P energy: -109.675 bonds (distance) P-C4' energy: -111.015 flat angles C4'-P-C4' energy: -135.166 flat angles P-C4'-P energy: -100.007 tors. eta vs tors. theta energy: -206.876 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: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2285.123421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.123421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.123421 (E_RNA) where: Base-Base interactions energy: -1633.278 where: short stacking energy: -625.349 Base-Backbone interact. energy: -0.787 local terms energy: -651.058128 where: bonds (distance) C4'-P energy: -112.435 bonds (distance) P-C4' energy: -95.076 flat angles C4'-P-C4' energy: -136.074 flat angles P-C4'-P energy: -113.534 tors. eta vs tors. theta energy: -193.938 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: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2220.070388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.070388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.070388 (E_RNA) where: Base-Base interactions energy: -1669.308 where: short stacking energy: -631.756 Base-Backbone interact. energy: 1.273 local terms energy: -552.034930 where: bonds (distance) C4'-P energy: -96.903 bonds (distance) P-C4' energy: -82.760 flat angles C4'-P-C4' energy: -117.988 flat angles P-C4'-P energy: -67.421 tors. eta vs tors. theta energy: -186.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -2004.669463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.669463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.669463 (E_RNA) where: Base-Base interactions energy: -1447.002 where: short stacking energy: -561.741 Base-Backbone interact. energy: -2.345 local terms energy: -555.323293 where: bonds (distance) C4'-P energy: -102.426 bonds (distance) P-C4' energy: -98.190 flat angles C4'-P-C4' energy: -125.540 flat angles P-C4'-P energy: -74.326 tors. eta vs tors. theta energy: -154.841 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: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1693.540556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.540556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.540556 (E_RNA) where: Base-Base interactions energy: -1199.837 where: short stacking energy: -478.540 Base-Backbone interact. energy: 4.923 local terms energy: -498.626329 where: bonds (distance) C4'-P energy: -99.265 bonds (distance) P-C4' energy: -100.732 flat angles C4'-P-C4' energy: -115.205 flat angles P-C4'-P energy: -67.047 tors. eta vs tors. theta energy: -116.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2656.555031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.555031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.555031 (E_RNA) where: Base-Base interactions energy: -1915.051 where: short stacking energy: -744.740 Base-Backbone interact. energy: -1.406 local terms energy: -740.098422 where: bonds (distance) C4'-P energy: -130.320 bonds (distance) P-C4' energy: -137.239 flat angles C4'-P-C4' energy: -158.201 flat angles P-C4'-P energy: -95.909 tors. eta vs tors. theta energy: -218.429 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: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2659.398824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.398824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.398824 (E_RNA) where: Base-Base interactions energy: -1948.927 where: short stacking energy: -745.259 Base-Backbone interact. energy: -1.493 local terms energy: -708.978918 where: bonds (distance) C4'-P energy: -104.194 bonds (distance) P-C4' energy: -138.355 flat angles C4'-P-C4' energy: -145.154 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -222.622 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: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2571.135455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.135455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.135455 (E_RNA) where: Base-Base interactions energy: -1894.462 where: short stacking energy: -738.835 Base-Backbone interact. energy: -0.187 local terms energy: -676.485851 where: bonds (distance) C4'-P energy: -105.422 bonds (distance) P-C4' energy: -118.082 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -88.151 tors. eta vs tors. theta energy: -220.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2589.774459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.774459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.774459 (E_RNA) where: Base-Base interactions energy: -1912.482 where: short stacking energy: -728.693 Base-Backbone interact. energy: 1.261 local terms energy: -678.553186 where: bonds (distance) C4'-P energy: -114.558 bonds (distance) P-C4' energy: -108.745 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -97.309 tors. eta vs tors. theta energy: -219.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2460.047843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.047843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.047843 (E_RNA) where: Base-Base interactions energy: -1786.847 where: short stacking energy: -700.148 Base-Backbone interact. energy: -1.494 local terms energy: -671.707089 where: bonds (distance) C4'-P energy: -118.058 bonds (distance) P-C4' energy: -108.565 flat angles C4'-P-C4' energy: -139.196 flat angles P-C4'-P energy: -96.227 tors. eta vs tors. theta energy: -209.661 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: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2424.428838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.428838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.428838 (E_RNA) where: Base-Base interactions energy: -1764.850 where: short stacking energy: -682.162 Base-Backbone interact. energy: -1.280 local terms energy: -658.298851 where: bonds (distance) C4'-P energy: -101.231 bonds (distance) P-C4' energy: -111.444 flat angles C4'-P-C4' energy: -138.264 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -214.271 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: 367 Temperature: 1.200000 Total energy: -2308.281057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.281057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.281057 (E_RNA) where: Base-Base interactions energy: -1687.395 where: short stacking energy: -649.513 Base-Backbone interact. energy: -0.782 local terms energy: -620.104641 where: bonds (distance) C4'-P energy: -96.489 bonds (distance) P-C4' energy: -97.821 flat angles C4'-P-C4' energy: -135.236 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -196.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2205.809913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.809913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.809913 (E_RNA) where: Base-Base interactions energy: -1596.452 where: short stacking energy: -612.968 Base-Backbone interact. energy: -3.079 local terms energy: -606.279551 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -94.198 flat angles C4'-P-C4' energy: -130.731 flat angles P-C4'-P energy: -94.270 tors. eta vs tors. theta energy: -179.732 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: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -2026.130071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.130071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.130071 (E_RNA) where: Base-Base interactions energy: -1499.450 where: short stacking energy: -574.579 Base-Backbone interact. energy: -1.855 local terms energy: -524.824866 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -94.176 flat angles C4'-P-C4' energy: -110.960 flat angles P-C4'-P energy: -71.787 tors. eta vs tors. theta energy: -158.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1735.653595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.653595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.653595 (E_RNA) where: Base-Base interactions energy: -1218.562 where: short stacking energy: -475.868 Base-Backbone interact. energy: 2.937 local terms energy: -520.028952 where: bonds (distance) C4'-P energy: -99.098 bonds (distance) P-C4' energy: -103.978 flat angles C4'-P-C4' energy: -114.209 flat angles P-C4'-P energy: -66.968 tors. eta vs tors. theta energy: -135.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2700.124685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.124685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.124685 (E_RNA) where: Base-Base interactions energy: -1980.324 where: short stacking energy: -754.380 Base-Backbone interact. energy: -1.177 local terms energy: -718.623688 where: bonds (distance) C4'-P energy: -117.908 bonds (distance) P-C4' energy: -119.206 flat angles C4'-P-C4' energy: -151.138 flat angles P-C4'-P energy: -106.484 tors. eta vs tors. theta energy: -223.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2606.507553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.507553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.507553 (E_RNA) where: Base-Base interactions energy: -1909.926 where: short stacking energy: -742.735 Base-Backbone interact. energy: -0.450 local terms energy: -696.131833 where: bonds (distance) C4'-P energy: -118.804 bonds (distance) P-C4' energy: -111.231 flat angles C4'-P-C4' energy: -148.412 flat angles P-C4'-P energy: -94.741 tors. eta vs tors. theta energy: -222.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2594.521548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.521548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.521548 (E_RNA) where: Base-Base interactions energy: -1900.577 where: short stacking energy: -734.646 Base-Backbone interact. energy: -0.764 local terms energy: -693.180287 where: bonds (distance) C4'-P energy: -104.075 bonds (distance) P-C4' energy: -127.204 flat angles C4'-P-C4' energy: -140.614 flat angles P-C4'-P energy: -92.704 tors. eta vs tors. theta energy: -228.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2593.933571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.933571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.933571 (E_RNA) where: Base-Base interactions energy: -1887.435 where: short stacking energy: -716.265 Base-Backbone interact. energy: -0.684 local terms energy: -705.814033 where: bonds (distance) C4'-P energy: -122.131 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -147.508 flat angles P-C4'-P energy: -98.414 tors. eta vs tors. theta energy: -222.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2505.621637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.621637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.621637 (E_RNA) where: Base-Base interactions energy: -1824.408 where: short stacking energy: -694.192 Base-Backbone interact. energy: -1.270 local terms energy: -679.943781 where: bonds (distance) C4'-P energy: -111.924 bonds (distance) P-C4' energy: -116.362 flat angles C4'-P-C4' energy: -146.061 flat angles P-C4'-P energy: -97.495 tors. eta vs tors. theta energy: -208.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2408.955543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.955543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.955543 (E_RNA) where: Base-Base interactions energy: -1741.012 where: short stacking energy: -676.147 Base-Backbone interact. energy: 0.028 local terms energy: -667.971022 where: bonds (distance) C4'-P energy: -118.479 bonds (distance) P-C4' energy: -111.344 flat angles C4'-P-C4' energy: -138.560 flat angles P-C4'-P energy: -92.989 tors. eta vs tors. theta energy: -206.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2326.728282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.728282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.728282 (E_RNA) where: Base-Base interactions energy: -1699.006 where: short stacking energy: -652.340 Base-Backbone interact. energy: -2.742 local terms energy: -624.980205 where: bonds (distance) C4'-P energy: -109.495 bonds (distance) P-C4' energy: -112.184 flat angles C4'-P-C4' energy: -132.200 flat angles P-C4'-P energy: -75.016 tors. eta vs tors. theta energy: -196.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -2241.512095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.512095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.512095 (E_RNA) where: Base-Base interactions energy: -1614.436 where: short stacking energy: -627.670 Base-Backbone interact. energy: -0.576 local terms energy: -626.500514 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -108.979 flat angles C4'-P-C4' energy: -141.496 flat angles P-C4'-P energy: -82.097 tors. eta vs tors. theta energy: -199.440 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: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1979.358047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.358047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.358047 (E_RNA) where: Base-Base interactions energy: -1449.888 where: short stacking energy: -547.694 Base-Backbone interact. energy: -1.527 local terms energy: -527.943055 where: bonds (distance) C4'-P energy: -94.708 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -111.856 flat angles P-C4'-P energy: -72.680 tors. eta vs tors. theta energy: -146.402 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: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1783.755401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.755401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.755401 (E_RNA) where: Base-Base interactions energy: -1258.517 where: short stacking energy: -493.448 Base-Backbone interact. energy: -3.815 local terms energy: -521.423401 where: bonds (distance) C4'-P energy: -105.120 bonds (distance) P-C4' energy: -104.094 flat angles C4'-P-C4' energy: -116.109 flat angles P-C4'-P energy: -65.195 tors. eta vs tors. theta energy: -130.907 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: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2700.862033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.862033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.862033 (E_RNA) where: Base-Base interactions energy: -1972.747 where: short stacking energy: -762.431 Base-Backbone interact. energy: 0.974 local terms energy: -729.089737 where: bonds (distance) C4'-P energy: -118.116 bonds (distance) P-C4' energy: -131.195 flat angles C4'-P-C4' energy: -152.337 flat angles P-C4'-P energy: -113.235 tors. eta vs tors. theta energy: -214.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2612.687026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.687026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.687026 (E_RNA) where: Base-Base interactions energy: -1907.660 where: short stacking energy: -742.209 Base-Backbone interact. energy: -0.155 local terms energy: -704.871932 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -113.535 flat angles C4'-P-C4' energy: -151.358 flat angles P-C4'-P energy: -102.165 tors. eta vs tors. theta energy: -218.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2568.906788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.906788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.906788 (E_RNA) where: Base-Base interactions energy: -1864.379 where: short stacking energy: -719.478 Base-Backbone interact. energy: 0.557 local terms energy: -705.084518 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -145.892 flat angles P-C4'-P energy: -95.928 tors. eta vs tors. theta energy: -216.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2567.686513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.686513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.686513 (E_RNA) where: Base-Base interactions energy: -1861.505 where: short stacking energy: -726.706 Base-Backbone interact. energy: -1.529 local terms energy: -704.651976 where: bonds (distance) C4'-P energy: -122.926 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -101.611 tors. eta vs tors. theta energy: -215.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2462.258258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.258258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.258258 (E_RNA) where: Base-Base interactions energy: -1803.023 where: short stacking energy: -688.439 Base-Backbone interact. energy: -2.679 local terms energy: -656.556311 where: bonds (distance) C4'-P energy: -109.320 bonds (distance) P-C4' energy: -112.618 flat angles C4'-P-C4' energy: -132.653 flat angles P-C4'-P energy: -92.490 tors. eta vs tors. theta energy: -209.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2407.592800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.592800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.592800 (E_RNA) where: Base-Base interactions energy: -1746.638 where: short stacking energy: -678.682 Base-Backbone interact. energy: -3.205 local terms energy: -657.749559 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -117.311 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -87.946 tors. eta vs tors. theta energy: -199.523 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: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2325.993888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.993888 (E_RNA) where: Base-Base interactions energy: -1674.636 where: short stacking energy: -648.521 Base-Backbone interact. energy: -1.746 local terms energy: -649.611367 where: bonds (distance) C4'-P energy: -121.672 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -128.015 flat angles P-C4'-P energy: -97.113 tors. eta vs tors. theta energy: -196.568 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: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2263.396283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.396283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.396283 (E_RNA) where: Base-Base interactions energy: -1621.669 where: short stacking energy: -624.305 Base-Backbone interact. energy: -2.495 local terms energy: -639.232946 where: bonds (distance) C4'-P energy: -108.142 bonds (distance) P-C4' energy: -107.874 flat angles C4'-P-C4' energy: -127.181 flat angles P-C4'-P energy: -92.509 tors. eta vs tors. theta energy: -203.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1993.238100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.238100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.238100 (E_RNA) where: Base-Base interactions energy: -1437.639 where: short stacking energy: -561.223 Base-Backbone interact. energy: 0.914 local terms energy: -556.512726 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -101.401 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -82.168 tors. eta vs tors. theta energy: -162.066 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: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1786.580825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.580825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.580825 (E_RNA) where: Base-Base interactions energy: -1281.673 where: short stacking energy: -498.260 Base-Backbone interact. energy: -1.678 local terms energy: -503.230283 where: bonds (distance) C4'-P energy: -102.449 bonds (distance) P-C4' energy: -85.396 flat angles C4'-P-C4' energy: -114.969 flat angles P-C4'-P energy: -72.505 tors. eta vs tors. theta energy: -127.910 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: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2703.816312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.816312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.816312 (E_RNA) where: Base-Base interactions energy: -1980.296 where: short stacking energy: -751.145 Base-Backbone interact. energy: -0.198 local terms energy: -723.322707 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -116.777 flat angles C4'-P-C4' energy: -155.025 flat angles P-C4'-P energy: -103.071 tors. eta vs tors. theta energy: -222.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2626.380135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.380135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.380135 (E_RNA) where: Base-Base interactions energy: -1896.364 where: short stacking energy: -726.327 Base-Backbone interact. energy: -1.648 local terms energy: -728.368363 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -130.368 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -101.879 tors. eta vs tors. theta energy: -224.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2611.109913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.109913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.109913 (E_RNA) where: Base-Base interactions energy: -1921.223 where: short stacking energy: -739.438 Base-Backbone interact. energy: 0.356 local terms energy: -690.242089 where: bonds (distance) C4'-P energy: -110.318 bonds (distance) P-C4' energy: -114.993 flat angles C4'-P-C4' energy: -146.819 flat angles P-C4'-P energy: -95.435 tors. eta vs tors. theta energy: -222.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2523.256307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.256307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.256307 (E_RNA) where: Base-Base interactions energy: -1841.425 where: short stacking energy: -698.137 Base-Backbone interact. energy: -2.193 local terms energy: -679.638432 where: bonds (distance) C4'-P energy: -112.155 bonds (distance) P-C4' energy: -107.775 flat angles C4'-P-C4' energy: -151.497 flat angles P-C4'-P energy: -93.436 tors. eta vs tors. theta energy: -214.774 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: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2451.240360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.240360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.240360 (E_RNA) where: Base-Base interactions energy: -1788.552 where: short stacking energy: -702.521 Base-Backbone interact. energy: 0.410 local terms energy: -663.097968 where: bonds (distance) C4'-P energy: -106.351 bonds (distance) P-C4' energy: -103.491 flat angles C4'-P-C4' energy: -145.052 flat angles P-C4'-P energy: -92.707 tors. eta vs tors. theta energy: -215.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2449.509245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.509245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.509245 (E_RNA) where: Base-Base interactions energy: -1776.393 where: short stacking energy: -693.799 Base-Backbone interact. energy: -3.183 local terms energy: -669.933217 where: bonds (distance) C4'-P energy: -117.808 bonds (distance) P-C4' energy: -123.469 flat angles C4'-P-C4' energy: -140.007 flat angles P-C4'-P energy: -81.218 tors. eta vs tors. theta energy: -207.431 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: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2307.772990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.772990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.772990 (E_RNA) where: Base-Base interactions energy: -1678.951 where: short stacking energy: -634.966 Base-Backbone interact. energy: 1.792 local terms energy: -630.614555 where: bonds (distance) C4'-P energy: -99.037 bonds (distance) P-C4' energy: -117.263 flat angles C4'-P-C4' energy: -128.156 flat angles P-C4'-P energy: -89.675 tors. eta vs tors. theta energy: -196.483 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: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2263.304937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.304937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.304937 (E_RNA) where: Base-Base interactions energy: -1651.961 where: short stacking energy: -656.204 Base-Backbone interact. energy: -0.924 local terms energy: -610.420268 where: bonds (distance) C4'-P energy: -98.719 bonds (distance) P-C4' energy: -111.100 flat angles C4'-P-C4' energy: -122.476 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -201.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1970.236727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.236727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.236727 (E_RNA) where: Base-Base interactions energy: -1413.283 where: short stacking energy: -542.399 Base-Backbone interact. energy: 3.405 local terms energy: -560.359135 where: bonds (distance) C4'-P energy: -91.852 bonds (distance) P-C4' energy: -101.472 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -163.299 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: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1778.876124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.876124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.876124 (E_RNA) where: Base-Base interactions energy: -1252.843 where: short stacking energy: -494.054 Base-Backbone interact. energy: 0.289 local terms energy: -526.322583 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -97.879 flat angles C4'-P-C4' energy: -119.287 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -136.254 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: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2709.775543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.775543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.775543 (E_RNA) where: Base-Base interactions energy: -1982.096 where: short stacking energy: -751.380 Base-Backbone interact. energy: 2.584 local terms energy: -730.263195 where: bonds (distance) C4'-P energy: -123.996 bonds (distance) P-C4' energy: -132.326 flat angles C4'-P-C4' energy: -154.908 flat angles P-C4'-P energy: -103.994 tors. eta vs tors. theta energy: -215.039 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: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2644.481326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.481326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.481326 (E_RNA) where: Base-Base interactions energy: -1922.656 where: short stacking energy: -731.094 Base-Backbone interact. energy: 3.153 local terms energy: -724.978142 where: bonds (distance) C4'-P energy: -128.361 bonds (distance) P-C4' energy: -122.326 flat angles C4'-P-C4' energy: -147.151 flat angles P-C4'-P energy: -104.423 tors. eta vs tors. theta energy: -222.717 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: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2573.587830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.587830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.587830 (E_RNA) where: Base-Base interactions energy: -1851.732 where: short stacking energy: -721.651 Base-Backbone interact. energy: -1.090 local terms energy: -720.765452 where: bonds (distance) C4'-P energy: -120.376 bonds (distance) P-C4' energy: -121.523 flat angles C4'-P-C4' energy: -149.517 flat angles P-C4'-P energy: -105.351 tors. eta vs tors. theta energy: -223.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2567.628899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.628899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.628899 (E_RNA) where: Base-Base interactions energy: -1851.705 where: short stacking energy: -725.340 Base-Backbone interact. energy: -0.813 local terms energy: -715.110573 where: bonds (distance) C4'-P energy: -109.450 bonds (distance) P-C4' energy: -136.060 flat angles C4'-P-C4' energy: -138.613 flat angles P-C4'-P energy: -106.179 tors. eta vs tors. theta energy: -224.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2452.977793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.977793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.977793 (E_RNA) where: Base-Base interactions energy: -1765.581 where: short stacking energy: -697.066 Base-Backbone interact. energy: -0.819 local terms energy: -686.576908 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -116.079 flat angles C4'-P-C4' energy: -139.697 flat angles P-C4'-P energy: -101.862 tors. eta vs tors. theta energy: -215.752 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: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2458.409329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.409329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.409329 (E_RNA) where: Base-Base interactions energy: -1782.320 where: short stacking energy: -682.692 Base-Backbone interact. energy: 1.789 local terms energy: -677.878681 where: bonds (distance) C4'-P energy: -118.929 bonds (distance) P-C4' energy: -111.215 flat angles C4'-P-C4' energy: -150.777 flat angles P-C4'-P energy: -94.409 tors. eta vs tors. theta energy: -202.549 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: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2342.155183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.155183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.155183 (E_RNA) where: Base-Base interactions energy: -1720.334 where: short stacking energy: -651.349 Base-Backbone interact. energy: -1.717 local terms energy: -620.103869 where: bonds (distance) C4'-P energy: -99.006 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -144.249 flat angles P-C4'-P energy: -84.409 tors. eta vs tors. theta energy: -196.315 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: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2262.388850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.388850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.388850 (E_RNA) where: Base-Base interactions energy: -1642.756 where: short stacking energy: -637.089 Base-Backbone interact. energy: 1.161 local terms energy: -620.793575 where: bonds (distance) C4'-P energy: -112.127 bonds (distance) P-C4' energy: -95.337 flat angles C4'-P-C4' energy: -127.049 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -196.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1962.326149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.326149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.326149 (E_RNA) where: Base-Base interactions energy: -1423.815 where: short stacking energy: -563.552 Base-Backbone interact. energy: 3.142 local terms energy: -541.652804 where: bonds (distance) C4'-P energy: -90.839 bonds (distance) P-C4' energy: -116.823 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -155.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1773.890352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.890352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.890352 (E_RNA) where: Base-Base interactions energy: -1260.407 where: short stacking energy: -499.808 Base-Backbone interact. energy: -1.604 local terms energy: -511.879705 where: bonds (distance) C4'-P energy: -93.739 bonds (distance) P-C4' energy: -97.444 flat angles C4'-P-C4' energy: -105.706 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -143.338 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: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2732.433344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.433344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.433344 (E_RNA) where: Base-Base interactions energy: -2007.444 where: short stacking energy: -773.783 Base-Backbone interact. energy: -1.823 local terms energy: -723.166828 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -113.705 flat angles C4'-P-C4' energy: -156.859 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -220.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2660.158751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.158751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.158751 (E_RNA) where: Base-Base interactions energy: -1930.636 where: short stacking energy: -737.463 Base-Backbone interact. energy: -0.696 local terms energy: -728.826567 where: bonds (distance) C4'-P energy: -118.295 bonds (distance) P-C4' energy: -135.184 flat angles C4'-P-C4' energy: -148.900 flat angles P-C4'-P energy: -102.021 tors. eta vs tors. theta energy: -224.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2580.014325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.014325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.014325 (E_RNA) where: Base-Base interactions energy: -1871.861 where: short stacking energy: -729.963 Base-Backbone interact. energy: -1.713 local terms energy: -706.440124 where: bonds (distance) C4'-P energy: -124.236 bonds (distance) P-C4' energy: -116.772 flat angles C4'-P-C4' energy: -141.523 flat angles P-C4'-P energy: -95.519 tors. eta vs tors. theta energy: -228.391 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: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2540.956623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.956623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.956623 (E_RNA) where: Base-Base interactions energy: -1846.430 where: short stacking energy: -728.121 Base-Backbone interact. energy: -1.466 local terms energy: -693.059828 where: bonds (distance) C4'-P energy: -109.435 bonds (distance) P-C4' energy: -121.294 flat angles C4'-P-C4' energy: -146.648 flat angles P-C4'-P energy: -97.357 tors. eta vs tors. theta energy: -218.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2462.662568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.662568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.662568 (E_RNA) where: Base-Base interactions energy: -1809.792 where: short stacking energy: -686.564 Base-Backbone interact. energy: 3.043 local terms energy: -655.913291 where: bonds (distance) C4'-P energy: -107.301 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -135.077 flat angles P-C4'-P energy: -87.793 tors. eta vs tors. theta energy: -202.913 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: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2430.836242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.836242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.836242 (E_RNA) where: Base-Base interactions energy: -1772.536 where: short stacking energy: -681.881 Base-Backbone interact. energy: 0.759 local terms energy: -659.059310 where: bonds (distance) C4'-P energy: -105.991 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -134.946 flat angles P-C4'-P energy: -94.212 tors. eta vs tors. theta energy: -210.123 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: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2298.587696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.587696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.587696 (E_RNA) where: Base-Base interactions energy: -1662.074 where: short stacking energy: -651.109 Base-Backbone interact. energy: -1.417 local terms energy: -635.096761 where: bonds (distance) C4'-P energy: -104.336 bonds (distance) P-C4' energy: -108.558 flat angles C4'-P-C4' energy: -137.725 flat angles P-C4'-P energy: -84.660 tors. eta vs tors. theta energy: -199.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2259.966414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.966414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.966414 (E_RNA) where: Base-Base interactions energy: -1672.220 where: short stacking energy: -639.491 Base-Backbone interact. energy: -0.276 local terms energy: -587.469582 where: bonds (distance) C4'-P energy: -88.758 bonds (distance) P-C4' energy: -89.065 flat angles C4'-P-C4' energy: -129.814 flat angles P-C4'-P energy: -83.798 tors. eta vs tors. theta energy: -196.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1937.567988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.567988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.567988 (E_RNA) where: Base-Base interactions energy: -1402.158 where: short stacking energy: -539.413 Base-Backbone interact. energy: 4.362 local terms energy: -539.772033 where: bonds (distance) C4'-P energy: -93.217 bonds (distance) P-C4' energy: -93.904 flat angles C4'-P-C4' energy: -134.556 flat angles P-C4'-P energy: -58.226 tors. eta vs tors. theta energy: -159.870 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: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1779.628176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.628176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.628176 (E_RNA) where: Base-Base interactions energy: -1296.535 where: short stacking energy: -526.738 Base-Backbone interact. energy: 0.700 local terms energy: -483.792925 where: bonds (distance) C4'-P energy: -74.150 bonds (distance) P-C4' energy: -98.964 flat angles C4'-P-C4' energy: -96.088 flat angles P-C4'-P energy: -75.857 tors. eta vs tors. theta energy: -138.734 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: 373 Temperature: 0.900000 Total energy: -2695.568580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.568580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.568580 (E_RNA) where: Base-Base interactions energy: -1980.590 where: short stacking energy: -748.519 Base-Backbone interact. energy: -1.765 local terms energy: -713.214190 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -122.035 flat angles C4'-P-C4' energy: -148.439 flat angles P-C4'-P energy: -97.263 tors. eta vs tors. theta energy: -214.365 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: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2689.698639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.698639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.698639 (E_RNA) where: Base-Base interactions energy: -1970.423 where: short stacking energy: -768.165 Base-Backbone interact. energy: -0.315 local terms energy: -718.960811 where: bonds (distance) C4'-P energy: -120.973 bonds (distance) P-C4' energy: -128.401 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -100.797 tors. eta vs tors. theta energy: -219.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2587.399780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.399780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.399780 (E_RNA) where: Base-Base interactions energy: -1885.957 where: short stacking energy: -734.819 Base-Backbone interact. energy: -1.367 local terms energy: -700.075807 where: bonds (distance) C4'-P energy: -123.146 bonds (distance) P-C4' energy: -114.265 flat angles C4'-P-C4' energy: -145.334 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -222.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2514.732489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.732489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.732489 (E_RNA) where: Base-Base interactions energy: -1817.680 where: short stacking energy: -713.730 Base-Backbone interact. energy: -0.520 local terms energy: -696.533010 where: bonds (distance) C4'-P energy: -121.703 bonds (distance) P-C4' energy: -114.842 flat angles C4'-P-C4' energy: -147.067 flat angles P-C4'-P energy: -92.968 tors. eta vs tors. theta energy: -219.952 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: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2466.791777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.791777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.791777 (E_RNA) where: Base-Base interactions energy: -1800.073 where: short stacking energy: -696.917 Base-Backbone interact. energy: -3.813 local terms energy: -662.906470 where: bonds (distance) C4'-P energy: -122.366 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -132.070 flat angles P-C4'-P energy: -89.645 tors. eta vs tors. theta energy: -213.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2402.154358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.154358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.154358 (E_RNA) where: Base-Base interactions energy: -1773.170 where: short stacking energy: -689.420 Base-Backbone interact. energy: -0.598 local terms energy: -628.386040 where: bonds (distance) C4'-P energy: -102.468 bonds (distance) P-C4' energy: -108.332 flat angles C4'-P-C4' energy: -127.380 flat angles P-C4'-P energy: -88.387 tors. eta vs tors. theta energy: -201.819 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: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2298.936184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.936184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.936184 (E_RNA) where: Base-Base interactions energy: -1656.245 where: short stacking energy: -652.599 Base-Backbone interact. energy: -0.949 local terms energy: -641.742403 where: bonds (distance) C4'-P energy: -112.822 bonds (distance) P-C4' energy: -108.592 flat angles C4'-P-C4' energy: -126.425 flat angles P-C4'-P energy: -90.947 tors. eta vs tors. theta energy: -202.957 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: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2262.872113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.872113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.872113 (E_RNA) where: Base-Base interactions energy: -1650.410 where: short stacking energy: -629.387 Base-Backbone interact. energy: -1.474 local terms energy: -610.987652 where: bonds (distance) C4'-P energy: -71.507 bonds (distance) P-C4' energy: -106.853 flat angles C4'-P-C4' energy: -144.731 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -187.118 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: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -2017.534586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.534586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.534586 (E_RNA) where: Base-Base interactions energy: -1461.121 where: short stacking energy: -567.239 Base-Backbone interact. energy: -2.104 local terms energy: -554.309495 where: bonds (distance) C4'-P energy: -86.130 bonds (distance) P-C4' energy: -111.327 flat angles C4'-P-C4' energy: -124.659 flat angles P-C4'-P energy: -78.698 tors. eta vs tors. theta energy: -153.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1781.540233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.540233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.540233 (E_RNA) where: Base-Base interactions energy: -1264.766 where: short stacking energy: -511.897 Base-Backbone interact. energy: -1.506 local terms energy: -515.268259 where: bonds (distance) C4'-P energy: -93.202 bonds (distance) P-C4' energy: -112.169 flat angles C4'-P-C4' energy: -110.366 flat angles P-C4'-P energy: -65.156 tors. eta vs tors. theta energy: -134.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2693.147473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.147473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.147473 (E_RNA) where: Base-Base interactions energy: -1958.741 where: short stacking energy: -761.207 Base-Backbone interact. energy: 0.326 local terms energy: -734.733036 where: bonds (distance) C4'-P energy: -121.945 bonds (distance) P-C4' energy: -130.860 flat angles C4'-P-C4' energy: -154.967 flat angles P-C4'-P energy: -97.538 tors. eta vs tors. theta energy: -229.423 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: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2665.511158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.511158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.511158 (E_RNA) where: Base-Base interactions energy: -1963.981 where: short stacking energy: -745.299 Base-Backbone interact. energy: -3.091 local terms energy: -698.439376 where: bonds (distance) C4'-P energy: -115.599 bonds (distance) P-C4' energy: -118.947 flat angles C4'-P-C4' energy: -141.326 flat angles P-C4'-P energy: -101.431 tors. eta vs tors. theta energy: -221.137 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: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2576.374778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.374778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.374778 (E_RNA) where: Base-Base interactions energy: -1865.879 where: short stacking energy: -724.882 Base-Backbone interact. energy: -2.539 local terms energy: -707.956059 where: bonds (distance) C4'-P energy: -118.680 bonds (distance) P-C4' energy: -116.828 flat angles C4'-P-C4' energy: -142.418 flat angles P-C4'-P energy: -103.071 tors. eta vs tors. theta energy: -226.959 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: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2534.763887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.763887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.763887 (E_RNA) where: Base-Base interactions energy: -1846.486 where: short stacking energy: -726.381 Base-Backbone interact. energy: -0.487 local terms energy: -687.790689 where: bonds (distance) C4'-P energy: -119.850 bonds (distance) P-C4' energy: -114.674 flat angles C4'-P-C4' energy: -140.675 flat angles P-C4'-P energy: -92.134 tors. eta vs tors. theta energy: -220.458 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2473.124526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.124526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.124526 (E_RNA) where: Base-Base interactions energy: -1798.743 where: short stacking energy: -681.324 Base-Backbone interact. energy: -1.868 local terms energy: -672.513239 where: bonds (distance) C4'-P energy: -122.294 bonds (distance) P-C4' energy: -116.680 flat angles C4'-P-C4' energy: -140.202 flat angles P-C4'-P energy: -91.739 tors. eta vs tors. theta energy: -201.598 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: 374 Temperature: 1.150000 Total energy: -2392.004113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.004113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.004113 (E_RNA) where: Base-Base interactions energy: -1739.186 where: short stacking energy: -684.817 Base-Backbone interact. energy: 2.500 local terms energy: -655.318538 where: bonds (distance) C4'-P energy: -103.186 bonds (distance) P-C4' energy: -98.915 flat angles C4'-P-C4' energy: -141.436 flat angles P-C4'-P energy: -102.545 tors. eta vs tors. theta energy: -209.237 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: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2327.519266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.519266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.519266 (E_RNA) where: Base-Base interactions energy: -1689.572 where: short stacking energy: -654.328 Base-Backbone interact. energy: -2.298 local terms energy: -635.649225 where: bonds (distance) C4'-P energy: -84.550 bonds (distance) P-C4' energy: -101.560 flat angles C4'-P-C4' energy: -152.486 flat angles P-C4'-P energy: -90.758 tors. eta vs tors. theta energy: -206.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -2281.525953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.525953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.525953 (E_RNA) where: Base-Base interactions energy: -1668.284 where: short stacking energy: -646.977 Base-Backbone interact. energy: -1.228 local terms energy: -612.013358 where: bonds (distance) C4'-P energy: -87.159 bonds (distance) P-C4' energy: -99.575 flat angles C4'-P-C4' energy: -135.136 flat angles P-C4'-P energy: -90.831 tors. eta vs tors. theta energy: -199.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -2008.332936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.332936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.332936 (E_RNA) where: Base-Base interactions energy: -1467.537 where: short stacking energy: -570.064 Base-Backbone interact. energy: 1.544 local terms energy: -542.340134 where: bonds (distance) C4'-P energy: -99.954 bonds (distance) P-C4' energy: -91.436 flat angles C4'-P-C4' energy: -115.940 flat angles P-C4'-P energy: -81.364 tors. eta vs tors. theta energy: -153.646 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: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1740.443940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.443940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.443940 (E_RNA) where: Base-Base interactions energy: -1229.693 where: short stacking energy: -502.009 Base-Backbone interact. energy: 2.368 local terms energy: -513.118884 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -113.550 flat angles C4'-P-C4' energy: -104.368 flat angles P-C4'-P energy: -72.659 tors. eta vs tors. theta energy: -128.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2699.965917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.965917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.965917 (E_RNA) where: Base-Base interactions energy: -1962.494 where: short stacking energy: -763.659 Base-Backbone interact. energy: -1.223 local terms energy: -736.249398 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -131.555 flat angles C4'-P-C4' energy: -152.063 flat angles P-C4'-P energy: -99.677 tors. eta vs tors. theta energy: -225.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2622.843609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.843609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.843609 (E_RNA) where: Base-Base interactions energy: -1903.050 where: short stacking energy: -732.096 Base-Backbone interact. energy: 1.494 local terms energy: -721.287814 where: bonds (distance) C4'-P energy: -114.353 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -146.912 flat angles P-C4'-P energy: -108.360 tors. eta vs tors. theta energy: -220.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2625.432272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.432272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.432272 (E_RNA) where: Base-Base interactions energy: -1942.254 where: short stacking energy: -718.240 Base-Backbone interact. energy: -1.486 local terms energy: -681.692099 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -112.650 flat angles C4'-P-C4' energy: -146.789 flat angles P-C4'-P energy: -100.610 tors. eta vs tors. theta energy: -209.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2503.801536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.801536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.801536 (E_RNA) where: Base-Base interactions energy: -1824.396 where: short stacking energy: -702.539 Base-Backbone interact. energy: -0.478 local terms energy: -678.927032 where: bonds (distance) C4'-P energy: -112.028 bonds (distance) P-C4' energy: -111.325 flat angles C4'-P-C4' energy: -147.215 flat angles P-C4'-P energy: -94.974 tors. eta vs tors. theta energy: -213.385 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: 375 Temperature: 1.100000 Total energy: -2490.307661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.307661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.307661 (E_RNA) where: Base-Base interactions energy: -1820.540 where: short stacking energy: -709.655 Base-Backbone interact. energy: -1.160 local terms energy: -668.607739 where: bonds (distance) C4'-P energy: -122.642 bonds (distance) P-C4' energy: -99.877 flat angles C4'-P-C4' energy: -146.332 flat angles P-C4'-P energy: -84.406 tors. eta vs tors. theta energy: -215.351 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: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2377.048997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.048997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.048997 (E_RNA) where: Base-Base interactions energy: -1713.376 where: short stacking energy: -666.692 Base-Backbone interact. energy: 0.601 local terms energy: -664.274082 where: bonds (distance) C4'-P energy: -118.600 bonds (distance) P-C4' energy: -104.538 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -92.254 tors. eta vs tors. theta energy: -207.763 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2323.961091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.961091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.961091 (E_RNA) where: Base-Base interactions energy: -1708.683 where: short stacking energy: -657.203 Base-Backbone interact. energy: -0.489 local terms energy: -614.789275 where: bonds (distance) C4'-P energy: -93.323 bonds (distance) P-C4' energy: -104.408 flat angles C4'-P-C4' energy: -136.689 flat angles P-C4'-P energy: -89.055 tors. eta vs tors. theta energy: -191.315 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: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2254.907400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.907400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.907400 (E_RNA) where: Base-Base interactions energy: -1659.998 where: short stacking energy: -630.343 Base-Backbone interact. energy: -1.104 local terms energy: -593.805249 where: bonds (distance) C4'-P energy: -86.605 bonds (distance) P-C4' energy: -103.838 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -85.095 tors. eta vs tors. theta energy: -183.955 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: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -2035.093213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.093213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.093213 (E_RNA) where: Base-Base interactions energy: -1483.776 where: short stacking energy: -576.615 Base-Backbone interact. energy: -0.011 local terms energy: -551.306487 where: bonds (distance) C4'-P energy: -102.109 bonds (distance) P-C4' energy: -93.720 flat angles C4'-P-C4' energy: -121.764 flat angles P-C4'-P energy: -80.089 tors. eta vs tors. theta energy: -153.624 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: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1825.050145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.050145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.050145 (E_RNA) where: Base-Base interactions energy: -1314.028 where: short stacking energy: -502.391 Base-Backbone interact. energy: 0.196 local terms energy: -511.217830 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -113.253 flat angles C4'-P-C4' energy: -98.068 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -129.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2700.307260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.307260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.307260 (E_RNA) where: Base-Base interactions energy: -1967.398 where: short stacking energy: -764.903 Base-Backbone interact. energy: -0.162 local terms energy: -732.747358 where: bonds (distance) C4'-P energy: -117.155 bonds (distance) P-C4' energy: -130.502 flat angles C4'-P-C4' energy: -150.517 flat angles P-C4'-P energy: -103.889 tors. eta vs tors. theta energy: -230.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2623.491710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.491710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.491710 (E_RNA) where: Base-Base interactions energy: -1922.283 where: short stacking energy: -753.953 Base-Backbone interact. energy: -0.298 local terms energy: -700.910835 where: bonds (distance) C4'-P energy: -127.220 bonds (distance) P-C4' energy: -109.191 flat angles C4'-P-C4' energy: -146.272 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -221.563 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: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2605.433288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.433288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.433288 (E_RNA) where: Base-Base interactions energy: -1923.583 where: short stacking energy: -725.607 Base-Backbone interact. energy: -2.338 local terms energy: -679.512707 where: bonds (distance) C4'-P energy: -104.321 bonds (distance) P-C4' energy: -111.560 flat angles C4'-P-C4' energy: -144.320 flat angles P-C4'-P energy: -99.918 tors. eta vs tors. theta energy: -219.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2506.443300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.443300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.443300 (E_RNA) where: Base-Base interactions energy: -1844.635 where: short stacking energy: -699.495 Base-Backbone interact. energy: -2.472 local terms energy: -659.336558 where: bonds (distance) C4'-P energy: -119.992 bonds (distance) P-C4' energy: -116.227 flat angles C4'-P-C4' energy: -132.889 flat angles P-C4'-P energy: -82.387 tors. eta vs tors. theta energy: -207.842 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: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2484.851081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.851081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.851081 (E_RNA) where: Base-Base interactions energy: -1817.338 where: short stacking energy: -708.335 Base-Backbone interact. energy: 3.009 local terms energy: -670.521708 where: bonds (distance) C4'-P energy: -123.594 bonds (distance) P-C4' energy: -93.085 flat angles C4'-P-C4' energy: -148.544 flat angles P-C4'-P energy: -91.009 tors. eta vs tors. theta energy: -214.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2393.419078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.419078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.419078 (E_RNA) where: Base-Base interactions energy: -1726.825 where: short stacking energy: -666.415 Base-Backbone interact. energy: -1.049 local terms energy: -665.544394 where: bonds (distance) C4'-P energy: -92.859 bonds (distance) P-C4' energy: -127.817 flat angles C4'-P-C4' energy: -141.651 flat angles P-C4'-P energy: -95.966 tors. eta vs tors. theta energy: -207.251 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: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2329.899806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.899806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.899806 (E_RNA) where: Base-Base interactions energy: -1727.059 where: short stacking energy: -654.647 Base-Backbone interact. energy: -2.249 local terms energy: -600.592026 where: bonds (distance) C4'-P energy: -83.055 bonds (distance) P-C4' energy: -101.320 flat angles C4'-P-C4' energy: -130.544 flat angles P-C4'-P energy: -88.429 tors. eta vs tors. theta energy: -197.245 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: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2286.323398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.323398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.323398 (E_RNA) where: Base-Base interactions energy: -1677.717 where: short stacking energy: -658.836 Base-Backbone interact. energy: -1.224 local terms energy: -607.382487 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -107.240 flat angles C4'-P-C4' energy: -132.018 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -195.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1952.293052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.293052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.293052 (E_RNA) where: Base-Base interactions energy: -1408.537 where: short stacking energy: -557.218 Base-Backbone interact. energy: -2.241 local terms energy: -541.514693 where: bonds (distance) C4'-P energy: -91.225 bonds (distance) P-C4' energy: -109.048 flat angles C4'-P-C4' energy: -109.813 flat angles P-C4'-P energy: -74.748 tors. eta vs tors. theta energy: -156.680 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: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1839.050246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.050246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.050246 (E_RNA) where: Base-Base interactions energy: -1316.844 where: short stacking energy: -528.812 Base-Backbone interact. energy: -0.488 local terms energy: -521.717356 where: bonds (distance) C4'-P energy: -82.822 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -119.356 flat angles P-C4'-P energy: -72.371 tors. eta vs tors. theta energy: -150.144 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: 377 Temperature: 0.900000 Total energy: -2706.942469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.942469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.942469 (E_RNA) where: Base-Base interactions energy: -1971.060 where: short stacking energy: -771.249 Base-Backbone interact. energy: 1.460 local terms energy: -737.342932 where: bonds (distance) C4'-P energy: -129.326 bonds (distance) P-C4' energy: -117.889 flat angles C4'-P-C4' energy: -152.029 flat angles P-C4'-P energy: -109.837 tors. eta vs tors. theta energy: -228.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2658.945527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.945527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.945527 (E_RNA) where: Base-Base interactions energy: -1968.159 where: short stacking energy: -758.845 Base-Backbone interact. energy: -1.926 local terms energy: -688.861130 where: bonds (distance) C4'-P energy: -94.815 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -142.151 flat angles P-C4'-P energy: -105.316 tors. eta vs tors. theta energy: -213.643 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: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2577.384114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.384114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.384114 (E_RNA) where: Base-Base interactions energy: -1877.845 where: short stacking energy: -730.084 Base-Backbone interact. energy: -1.126 local terms energy: -698.413716 where: bonds (distance) C4'-P energy: -114.212 bonds (distance) P-C4' energy: -119.716 flat angles C4'-P-C4' energy: -145.527 flat angles P-C4'-P energy: -107.838 tors. eta vs tors. theta energy: -211.122 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: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2499.690573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.690573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.690573 (E_RNA) where: Base-Base interactions energy: -1837.862 where: short stacking energy: -718.037 Base-Backbone interact. energy: -0.829 local terms energy: -660.999424 where: bonds (distance) C4'-P energy: -115.148 bonds (distance) P-C4' energy: -99.366 flat angles C4'-P-C4' energy: -144.031 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -213.824 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: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2461.322996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.322996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.322996 (E_RNA) where: Base-Base interactions energy: -1795.872 where: short stacking energy: -704.395 Base-Backbone interact. energy: -2.618 local terms energy: -662.833236 where: bonds (distance) C4'-P energy: -110.008 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -137.876 flat angles P-C4'-P energy: -94.304 tors. eta vs tors. theta energy: -207.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2370.644786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.644786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.644786 (E_RNA) where: Base-Base interactions energy: -1725.542 where: short stacking energy: -664.780 Base-Backbone interact. energy: 0.680 local terms energy: -645.782280 where: bonds (distance) C4'-P energy: -92.428 bonds (distance) P-C4' energy: -116.863 flat angles C4'-P-C4' energy: -139.756 flat angles P-C4'-P energy: -96.062 tors. eta vs tors. theta energy: -200.673 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: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2319.162563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.162563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.162563 (E_RNA) where: Base-Base interactions energy: -1692.016 where: short stacking energy: -652.792 Base-Backbone interact. energy: 0.403 local terms energy: -627.549990 where: bonds (distance) C4'-P energy: -104.936 bonds (distance) P-C4' energy: -119.543 flat angles C4'-P-C4' energy: -122.912 flat angles P-C4'-P energy: -87.647 tors. eta vs tors. theta energy: -192.511 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: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2305.981167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.981167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.981167 (E_RNA) where: Base-Base interactions energy: -1683.109 where: short stacking energy: -637.362 Base-Backbone interact. energy: 2.900 local terms energy: -625.772628 where: bonds (distance) C4'-P energy: -110.050 bonds (distance) P-C4' energy: -110.885 flat angles C4'-P-C4' energy: -138.578 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -184.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1938.626502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.626502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.626502 (E_RNA) where: Base-Base interactions energy: -1416.708 where: short stacking energy: -542.872 Base-Backbone interact. energy: -0.073 local terms energy: -521.845598 where: bonds (distance) C4'-P energy: -86.470 bonds (distance) P-C4' energy: -92.402 flat angles C4'-P-C4' energy: -113.469 flat angles P-C4'-P energy: -74.867 tors. eta vs tors. theta energy: -154.636 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: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1824.801670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.801670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.801670 (E_RNA) where: Base-Base interactions energy: -1302.254 where: short stacking energy: -513.096 Base-Backbone interact. energy: -1.772 local terms energy: -520.776216 where: bonds (distance) C4'-P energy: -96.051 bonds (distance) P-C4' energy: -105.851 flat angles C4'-P-C4' energy: -107.425 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -147.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2699.540498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.540498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.540498 (E_RNA) where: Base-Base interactions energy: -1969.706 where: short stacking energy: -751.795 Base-Backbone interact. energy: -1.687 local terms energy: -728.147266 where: bonds (distance) C4'-P energy: -116.446 bonds (distance) P-C4' energy: -117.700 flat angles C4'-P-C4' energy: -157.660 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -226.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2664.215556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.215556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.215556 (E_RNA) where: Base-Base interactions energy: -1963.575 where: short stacking energy: -736.934 Base-Backbone interact. energy: -2.237 local terms energy: -698.403728 where: bonds (distance) C4'-P energy: -112.238 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -134.544 flat angles P-C4'-P energy: -96.585 tors. eta vs tors. theta energy: -220.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2572.645357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.645357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.645357 (E_RNA) where: Base-Base interactions energy: -1883.830 where: short stacking energy: -734.222 Base-Backbone interact. energy: -0.986 local terms energy: -687.829119 where: bonds (distance) C4'-P energy: -107.337 bonds (distance) P-C4' energy: -106.977 flat angles C4'-P-C4' energy: -148.528 flat angles P-C4'-P energy: -109.762 tors. eta vs tors. theta energy: -215.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2506.878482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.878482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.878482 (E_RNA) where: Base-Base interactions energy: -1818.469 where: short stacking energy: -703.371 Base-Backbone interact. energy: -3.337 local terms energy: -685.072306 where: bonds (distance) C4'-P energy: -112.451 bonds (distance) P-C4' energy: -121.864 flat angles C4'-P-C4' energy: -144.763 flat angles P-C4'-P energy: -99.170 tors. eta vs tors. theta energy: -206.824 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: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2467.238584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.238584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.238584 (E_RNA) where: Base-Base interactions energy: -1804.754 where: short stacking energy: -704.790 Base-Backbone interact. energy: 2.412 local terms energy: -664.896796 where: bonds (distance) C4'-P energy: -99.488 bonds (distance) P-C4' energy: -111.205 flat angles C4'-P-C4' energy: -143.594 flat angles P-C4'-P energy: -103.005 tors. eta vs tors. theta energy: -207.604 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: 6, replica: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2394.401660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.401660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.401660 (E_RNA) where: Base-Base interactions energy: -1748.050 where: short stacking energy: -672.445 Base-Backbone interact. energy: -3.129 local terms energy: -643.222541 where: bonds (distance) C4'-P energy: -104.642 bonds (distance) P-C4' energy: -99.156 flat angles C4'-P-C4' energy: -144.221 flat angles P-C4'-P energy: -88.966 tors. eta vs tors. theta energy: -206.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2311.597320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.597320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.597320 (E_RNA) where: Base-Base interactions energy: -1699.937 where: short stacking energy: -652.695 Base-Backbone interact. energy: 1.309 local terms energy: -612.969872 where: bonds (distance) C4'-P energy: -97.454 bonds (distance) P-C4' energy: -106.300 flat angles C4'-P-C4' energy: -135.166 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -188.030 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: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -2287.996523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.996523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.996523 (E_RNA) where: Base-Base interactions energy: -1662.856 where: short stacking energy: -652.608 Base-Backbone interact. energy: 3.777 local terms energy: -628.917056 where: bonds (distance) C4'-P energy: -83.421 bonds (distance) P-C4' energy: -110.760 flat angles C4'-P-C4' energy: -143.338 flat angles P-C4'-P energy: -90.313 tors. eta vs tors. theta energy: -201.085 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: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1986.762989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.762989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.762989 (E_RNA) where: Base-Base interactions energy: -1455.362 where: short stacking energy: -556.467 Base-Backbone interact. energy: 0.204 local terms energy: -531.605107 where: bonds (distance) C4'-P energy: -84.620 bonds (distance) P-C4' energy: -99.756 flat angles C4'-P-C4' energy: -111.955 flat angles P-C4'-P energy: -79.614 tors. eta vs tors. theta energy: -155.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1805.428556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.428556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.428556 (E_RNA) where: Base-Base interactions energy: -1301.879 where: short stacking energy: -529.053 Base-Backbone interact. energy: -1.446 local terms energy: -502.103486 where: bonds (distance) C4'-P energy: -89.967 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -118.564 flat angles P-C4'-P energy: -77.739 tors. eta vs tors. theta energy: -154.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2698.802378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.802378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.802378 (E_RNA) where: Base-Base interactions energy: -1973.183 where: short stacking energy: -769.335 Base-Backbone interact. energy: -1.770 local terms energy: -723.849836 where: bonds (distance) C4'-P energy: -118.728 bonds (distance) P-C4' energy: -120.032 flat angles C4'-P-C4' energy: -149.500 flat angles P-C4'-P energy: -106.672 tors. eta vs tors. theta energy: -228.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2664.141453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.141453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.141453 (E_RNA) where: Base-Base interactions energy: -1965.777 where: short stacking energy: -743.194 Base-Backbone interact. energy: 0.858 local terms energy: -699.222854 where: bonds (distance) C4'-P energy: -137.478 bonds (distance) P-C4' energy: -107.660 flat angles C4'-P-C4' energy: -143.928 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -220.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2603.160912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.160912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.160912 (E_RNA) where: Base-Base interactions energy: -1887.339 where: short stacking energy: -729.932 Base-Backbone interact. energy: -2.560 local terms energy: -713.262114 where: bonds (distance) C4'-P energy: -120.205 bonds (distance) P-C4' energy: -110.714 flat angles C4'-P-C4' energy: -149.824 flat angles P-C4'-P energy: -112.057 tors. eta vs tors. theta energy: -220.462 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: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2529.083372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.083372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.083372 (E_RNA) where: Base-Base interactions energy: -1842.917 where: short stacking energy: -721.879 Base-Backbone interact. energy: -2.000 local terms energy: -684.166070 where: bonds (distance) C4'-P energy: -116.620 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -145.495 flat angles P-C4'-P energy: -98.873 tors. eta vs tors. theta energy: -209.713 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: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2497.010259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.010259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.010259 (E_RNA) where: Base-Base interactions energy: -1814.854 where: short stacking energy: -700.033 Base-Backbone interact. energy: -0.598 local terms energy: -681.558371 where: bonds (distance) C4'-P energy: -112.051 bonds (distance) P-C4' energy: -123.744 flat angles C4'-P-C4' energy: -138.479 flat angles P-C4'-P energy: -98.624 tors. eta vs tors. theta energy: -208.661 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: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2404.618375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.618375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.618375 (E_RNA) where: Base-Base interactions energy: -1743.045 where: short stacking energy: -666.220 Base-Backbone interact. energy: 0.101 local terms energy: -661.674283 where: bonds (distance) C4'-P energy: -110.370 bonds (distance) P-C4' energy: -121.869 flat angles C4'-P-C4' energy: -131.651 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -200.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2349.301005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.301005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.301005 (E_RNA) where: Base-Base interactions energy: -1708.783 where: short stacking energy: -640.661 Base-Backbone interact. energy: -0.094 local terms energy: -640.423909 where: bonds (distance) C4'-P energy: -107.507 bonds (distance) P-C4' energy: -110.078 flat angles C4'-P-C4' energy: -137.058 flat angles P-C4'-P energy: -81.891 tors. eta vs tors. theta energy: -203.890 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2293.067416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.067416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.067416 (E_RNA) where: Base-Base interactions energy: -1686.290 where: short stacking energy: -650.461 Base-Backbone interact. energy: -0.991 local terms energy: -605.786796 where: bonds (distance) C4'-P energy: -88.861 bonds (distance) P-C4' energy: -101.025 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -83.767 tors. eta vs tors. theta energy: -198.800 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: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1958.855533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.855533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.855533 (E_RNA) where: Base-Base interactions energy: -1444.069 where: short stacking energy: -537.591 Base-Backbone interact. energy: -0.532 local terms energy: -514.254445 where: bonds (distance) C4'-P energy: -106.739 bonds (distance) P-C4' energy: -87.320 flat angles C4'-P-C4' energy: -100.201 flat angles P-C4'-P energy: -82.189 tors. eta vs tors. theta energy: -137.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1855.971588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.971588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.971588 (E_RNA) where: Base-Base interactions energy: -1311.472 where: short stacking energy: -521.911 Base-Backbone interact. energy: 2.279 local terms energy: -546.778950 where: bonds (distance) C4'-P energy: -94.219 bonds (distance) P-C4' energy: -110.093 flat angles C4'-P-C4' energy: -118.135 flat angles P-C4'-P energy: -79.861 tors. eta vs tors. theta energy: -144.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2700.487176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.487176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.487176 (E_RNA) where: Base-Base interactions energy: -1972.451 where: short stacking energy: -760.279 Base-Backbone interact. energy: -2.645 local terms energy: -725.390410 where: bonds (distance) C4'-P energy: -127.850 bonds (distance) P-C4' energy: -130.427 flat angles C4'-P-C4' energy: -140.984 flat angles P-C4'-P energy: -100.797 tors. eta vs tors. theta energy: -225.332 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: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2661.930218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.930218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.930218 (E_RNA) where: Base-Base interactions energy: -1973.101 where: short stacking energy: -752.219 Base-Backbone interact. energy: -1.843 local terms energy: -686.986437 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -106.023 flat angles C4'-P-C4' energy: -145.771 flat angles P-C4'-P energy: -99.682 tors. eta vs tors. theta energy: -217.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2592.515544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.515544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.515544 (E_RNA) where: Base-Base interactions energy: -1895.988 where: short stacking energy: -741.443 Base-Backbone interact. energy: 1.111 local terms energy: -697.637887 where: bonds (distance) C4'-P energy: -115.085 bonds (distance) P-C4' energy: -113.552 flat angles C4'-P-C4' energy: -145.510 flat angles P-C4'-P energy: -101.379 tors. eta vs tors. theta energy: -222.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2509.912879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.912879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.912879 (E_RNA) where: Base-Base interactions energy: -1843.242 where: short stacking energy: -714.703 Base-Backbone interact. energy: -0.518 local terms energy: -666.153701 where: bonds (distance) C4'-P energy: -102.796 bonds (distance) P-C4' energy: -108.653 flat angles C4'-P-C4' energy: -141.096 flat angles P-C4'-P energy: -96.902 tors. eta vs tors. theta energy: -216.708 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: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2477.930953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.930953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.930953 (E_RNA) where: Base-Base interactions energy: -1817.697 where: short stacking energy: -696.505 Base-Backbone interact. energy: 0.120 local terms energy: -660.354127 where: bonds (distance) C4'-P energy: -108.614 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -138.671 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -197.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2389.937041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.937041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.937041 (E_RNA) where: Base-Base interactions energy: -1774.720 where: short stacking energy: -680.282 Base-Backbone interact. energy: 0.929 local terms energy: -616.146000 where: bonds (distance) C4'-P energy: -86.082 bonds (distance) P-C4' energy: -104.274 flat angles C4'-P-C4' energy: -134.487 flat angles P-C4'-P energy: -89.003 tors. eta vs tors. theta energy: -202.300 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: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2377.484016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.484016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.484016 (E_RNA) where: Base-Base interactions energy: -1741.433 where: short stacking energy: -655.107 Base-Backbone interact. energy: -0.398 local terms energy: -635.653356 where: bonds (distance) C4'-P energy: -96.820 bonds (distance) P-C4' energy: -106.922 flat angles C4'-P-C4' energy: -133.965 flat angles P-C4'-P energy: -88.686 tors. eta vs tors. theta energy: -209.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2287.308918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.308918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.308918 (E_RNA) where: Base-Base interactions energy: -1659.240 where: short stacking energy: -652.930 Base-Backbone interact. energy: 1.432 local terms energy: -629.501475 where: bonds (distance) C4'-P energy: -106.959 bonds (distance) P-C4' energy: -111.749 flat angles C4'-P-C4' energy: -116.428 flat angles P-C4'-P energy: -96.998 tors. eta vs tors. theta energy: -197.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1971.903079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.903079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.903079 (E_RNA) where: Base-Base interactions energy: -1431.404 where: short stacking energy: -556.498 Base-Backbone interact. energy: 0.355 local terms energy: -540.854182 where: bonds (distance) C4'-P energy: -90.962 bonds (distance) P-C4' energy: -94.857 flat angles C4'-P-C4' energy: -124.256 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: -151.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1794.024204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.024204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.024204 (E_RNA) where: Base-Base interactions energy: -1274.112 where: short stacking energy: -491.044 Base-Backbone interact. energy: 0.331 local terms energy: -520.243058 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -99.737 flat angles C4'-P-C4' energy: -103.040 flat angles P-C4'-P energy: -70.147 tors. eta vs tors. theta energy: -148.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2680.596260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.596260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.596260 (E_RNA) where: Base-Base interactions energy: -1946.927 where: short stacking energy: -757.111 Base-Backbone interact. energy: -2.723 local terms energy: -730.945889 where: bonds (distance) C4'-P energy: -126.238 bonds (distance) P-C4' energy: -126.838 flat angles C4'-P-C4' energy: -147.972 flat angles P-C4'-P energy: -107.791 tors. eta vs tors. theta energy: -222.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2658.987268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.987268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.987268 (E_RNA) where: Base-Base interactions energy: -1946.449 where: short stacking energy: -746.928 Base-Backbone interact. energy: -1.973 local terms energy: -710.564802 where: bonds (distance) C4'-P energy: -125.704 bonds (distance) P-C4' energy: -121.334 flat angles C4'-P-C4' energy: -145.187 flat angles P-C4'-P energy: -105.086 tors. eta vs tors. theta energy: -213.254 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: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2589.080914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.080914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.080914 (E_RNA) where: Base-Base interactions energy: -1909.072 where: short stacking energy: -746.712 Base-Backbone interact. energy: 1.189 local terms energy: -681.198330 where: bonds (distance) C4'-P energy: -111.530 bonds (distance) P-C4' energy: -118.332 flat angles C4'-P-C4' energy: -139.917 flat angles P-C4'-P energy: -90.475 tors. eta vs tors. theta energy: -220.944 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: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2533.241014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.241014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.241014 (E_RNA) where: Base-Base interactions energy: -1848.643 where: short stacking energy: -721.266 Base-Backbone interact. energy: 0.462 local terms energy: -685.059730 where: bonds (distance) C4'-P energy: -111.596 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -141.256 flat angles P-C4'-P energy: -98.205 tors. eta vs tors. theta energy: -212.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2493.700842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.700842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.700842 (E_RNA) where: Base-Base interactions energy: -1812.729 where: short stacking energy: -705.255 Base-Backbone interact. energy: 0.250 local terms energy: -681.222271 where: bonds (distance) C4'-P energy: -125.888 bonds (distance) P-C4' energy: -117.955 flat angles C4'-P-C4' energy: -141.919 flat angles P-C4'-P energy: -89.405 tors. eta vs tors. theta energy: -206.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2362.866717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.866717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.866717 (E_RNA) where: Base-Base interactions energy: -1724.509 where: short stacking energy: -669.086 Base-Backbone interact. energy: -1.186 local terms energy: -637.171948 where: bonds (distance) C4'-P energy: -103.250 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -132.856 flat angles P-C4'-P energy: -87.393 tors. eta vs tors. theta energy: -212.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2338.095729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.095729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.095729 (E_RNA) where: Base-Base interactions energy: -1699.063 where: short stacking energy: -651.561 Base-Backbone interact. energy: -2.289 local terms energy: -636.743875 where: bonds (distance) C4'-P energy: -99.213 bonds (distance) P-C4' energy: -122.845 flat angles C4'-P-C4' energy: -130.945 flat angles P-C4'-P energy: -82.484 tors. eta vs tors. theta energy: -201.257 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: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2326.694754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.694754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.694754 (E_RNA) where: Base-Base interactions energy: -1719.160 where: short stacking energy: -692.079 Base-Backbone interact. energy: -1.575 local terms energy: -605.960481 where: bonds (distance) C4'-P energy: -81.511 bonds (distance) P-C4' energy: -89.402 flat angles C4'-P-C4' energy: -138.799 flat angles P-C4'-P energy: -90.243 tors. eta vs tors. theta energy: -206.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -2008.863205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.863205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.863205 (E_RNA) where: Base-Base interactions energy: -1475.960 where: short stacking energy: -558.649 Base-Backbone interact. energy: 2.618 local terms energy: -535.521749 where: bonds (distance) C4'-P energy: -93.302 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -105.375 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -159.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1806.485822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.485822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.485822 (E_RNA) where: Base-Base interactions energy: -1282.442 where: short stacking energy: -523.023 Base-Backbone interact. energy: 0.222 local terms energy: -524.264937 where: bonds (distance) C4'-P energy: -100.592 bonds (distance) P-C4' energy: -99.136 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -70.935 tors. eta vs tors. theta energy: -144.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2676.534985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.534985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.534985 (E_RNA) where: Base-Base interactions energy: -1940.214 where: short stacking energy: -744.963 Base-Backbone interact. energy: -1.437 local terms energy: -734.883866 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -127.055 flat angles C4'-P-C4' energy: -148.174 flat angles P-C4'-P energy: -110.533 tors. eta vs tors. theta energy: -218.602 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: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2690.530069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.530069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.530069 (E_RNA) where: Base-Base interactions energy: -1969.084 where: short stacking energy: -768.353 Base-Backbone interact. energy: -1.837 local terms energy: -719.608817 where: bonds (distance) C4'-P energy: -122.569 bonds (distance) P-C4' energy: -113.830 flat angles C4'-P-C4' energy: -150.921 flat angles P-C4'-P energy: -106.595 tors. eta vs tors. theta energy: -225.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2593.495794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.495794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.495794 (E_RNA) where: Base-Base interactions energy: -1875.932 where: short stacking energy: -740.489 Base-Backbone interact. energy: 2.440 local terms energy: -720.002936 where: bonds (distance) C4'-P energy: -129.393 bonds (distance) P-C4' energy: -119.106 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -102.891 tors. eta vs tors. theta energy: -220.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2523.242805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.242805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.242805 (E_RNA) where: Base-Base interactions energy: -1855.530 where: short stacking energy: -714.380 Base-Backbone interact. energy: -1.369 local terms energy: -666.344354 where: bonds (distance) C4'-P energy: -106.986 bonds (distance) P-C4' energy: -109.401 flat angles C4'-P-C4' energy: -143.904 flat angles P-C4'-P energy: -98.553 tors. eta vs tors. theta energy: -207.500 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: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2476.606545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.606545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.606545 (E_RNA) where: Base-Base interactions energy: -1822.793 where: short stacking energy: -723.016 Base-Backbone interact. energy: 1.208 local terms energy: -655.021625 where: bonds (distance) C4'-P energy: -113.553 bonds (distance) P-C4' energy: -95.446 flat angles C4'-P-C4' energy: -138.718 flat angles P-C4'-P energy: -93.967 tors. eta vs tors. theta energy: -213.338 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: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2371.567742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.567742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.567742 (E_RNA) where: Base-Base interactions energy: -1720.293 where: short stacking energy: -666.482 Base-Backbone interact. energy: -0.148 local terms energy: -651.126144 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -117.379 flat angles C4'-P-C4' energy: -131.925 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -204.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2323.908427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.908427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.908427 (E_RNA) where: Base-Base interactions energy: -1707.454 where: short stacking energy: -644.492 Base-Backbone interact. energy: -0.779 local terms energy: -615.675739 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -107.626 flat angles C4'-P-C4' energy: -126.551 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -192.196 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: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -2286.132773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.132773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.132773 (E_RNA) where: Base-Base interactions energy: -1661.514 where: short stacking energy: -649.568 Base-Backbone interact. energy: -0.927 local terms energy: -623.691882 where: bonds (distance) C4'-P energy: -122.775 bonds (distance) P-C4' energy: -100.459 flat angles C4'-P-C4' energy: -122.080 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -197.221 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: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -2034.498841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.498841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.498841 (E_RNA) where: Base-Base interactions energy: -1494.642 where: short stacking energy: -568.709 Base-Backbone interact. energy: 1.249 local terms energy: -541.105597 where: bonds (distance) C4'-P energy: -107.012 bonds (distance) P-C4' energy: -96.883 flat angles C4'-P-C4' energy: -112.304 flat angles P-C4'-P energy: -70.946 tors. eta vs tors. theta energy: -153.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1808.337466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.337466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.337466 (E_RNA) where: Base-Base interactions energy: -1274.878 where: short stacking energy: -494.792 Base-Backbone interact. energy: -0.723 local terms energy: -532.736442 where: bonds (distance) C4'-P energy: -95.270 bonds (distance) P-C4' energy: -102.435 flat angles C4'-P-C4' energy: -103.262 flat angles P-C4'-P energy: -87.649 tors. eta vs tors. theta energy: -144.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2694.555269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.555269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.555269 (E_RNA) where: Base-Base interactions energy: -1979.452 where: short stacking energy: -770.953 Base-Backbone interact. energy: -1.456 local terms energy: -713.647549 where: bonds (distance) C4'-P energy: -119.422 bonds (distance) P-C4' energy: -111.796 flat angles C4'-P-C4' energy: -155.276 flat angles P-C4'-P energy: -105.448 tors. eta vs tors. theta energy: -221.706 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: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2657.914899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.914899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.914899 (E_RNA) where: Base-Base interactions energy: -1925.585 where: short stacking energy: -740.900 Base-Backbone interact. energy: -1.211 local terms energy: -731.118774 where: bonds (distance) C4'-P energy: -126.093 bonds (distance) P-C4' energy: -120.352 flat angles C4'-P-C4' energy: -158.669 flat angles P-C4'-P energy: -102.025 tors. eta vs tors. theta energy: -223.980 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: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2598.478361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.478361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.478361 (E_RNA) where: Base-Base interactions energy: -1898.294 where: short stacking energy: -718.823 Base-Backbone interact. energy: -1.934 local terms energy: -698.250142 where: bonds (distance) C4'-P energy: -108.371 bonds (distance) P-C4' energy: -126.412 flat angles C4'-P-C4' energy: -143.023 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -215.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2509.685221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.685221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.685221 (E_RNA) where: Base-Base interactions energy: -1854.435 where: short stacking energy: -722.475 Base-Backbone interact. energy: -2.411 local terms energy: -652.840140 where: bonds (distance) C4'-P energy: -97.362 bonds (distance) P-C4' energy: -107.182 flat angles C4'-P-C4' energy: -145.443 flat angles P-C4'-P energy: -91.923 tors. eta vs tors. theta energy: -210.929 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: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2468.238858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.238858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.238858 (E_RNA) where: Base-Base interactions energy: -1815.137 where: short stacking energy: -694.604 Base-Backbone interact. energy: -1.982 local terms energy: -651.120497 where: bonds (distance) C4'-P energy: -115.217 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -130.356 flat angles P-C4'-P energy: -86.540 tors. eta vs tors. theta energy: -211.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2374.146535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.146535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.146535 (E_RNA) where: Base-Base interactions energy: -1734.560 where: short stacking energy: -673.171 Base-Backbone interact. energy: 3.596 local terms energy: -643.182913 where: bonds (distance) C4'-P energy: -114.624 bonds (distance) P-C4' energy: -92.824 flat angles C4'-P-C4' energy: -135.255 flat angles P-C4'-P energy: -97.367 tors. eta vs tors. theta energy: -203.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2352.985118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.985118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.985118 (E_RNA) where: Base-Base interactions energy: -1727.893 where: short stacking energy: -655.261 Base-Backbone interact. energy: 1.001 local terms energy: -626.093680 where: bonds (distance) C4'-P energy: -112.791 bonds (distance) P-C4' energy: -103.406 flat angles C4'-P-C4' energy: -124.715 flat angles P-C4'-P energy: -84.101 tors. eta vs tors. theta energy: -201.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2291.234145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.234145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.234145 (E_RNA) where: Base-Base interactions energy: -1652.613 where: short stacking energy: -647.359 Base-Backbone interact. energy: -1.700 local terms energy: -636.921151 where: bonds (distance) C4'-P energy: -102.419 bonds (distance) P-C4' energy: -117.169 flat angles C4'-P-C4' energy: -139.341 flat angles P-C4'-P energy: -79.685 tors. eta vs tors. theta energy: -198.308 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: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -2000.674031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.674031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.674031 (E_RNA) where: Base-Base interactions energy: -1462.715 where: short stacking energy: -561.255 Base-Backbone interact. energy: -0.880 local terms energy: -537.079211 where: bonds (distance) C4'-P energy: -89.125 bonds (distance) P-C4' energy: -86.509 flat angles C4'-P-C4' energy: -120.566 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -161.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1831.868138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.868138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.868138 (E_RNA) where: Base-Base interactions energy: -1298.559 where: short stacking energy: -526.789 Base-Backbone interact. energy: -1.308 local terms energy: -532.000862 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -98.365 flat angles C4'-P-C4' energy: -130.046 flat angles P-C4'-P energy: -65.883 tors. eta vs tors. theta energy: -148.557 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: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2666.551395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.551395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.551395 (E_RNA) where: Base-Base interactions energy: -1940.969 where: short stacking energy: -748.516 Base-Backbone interact. energy: -1.526 local terms energy: -724.056251 where: bonds (distance) C4'-P energy: -124.195 bonds (distance) P-C4' energy: -121.192 flat angles C4'-P-C4' energy: -145.201 flat angles P-C4'-P energy: -104.398 tors. eta vs tors. theta energy: -229.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2659.380158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.380158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.380158 (E_RNA) where: Base-Base interactions energy: -1950.906 where: short stacking energy: -760.962 Base-Backbone interact. energy: -1.294 local terms energy: -707.180185 where: bonds (distance) C4'-P energy: -119.154 bonds (distance) P-C4' energy: -116.006 flat angles C4'-P-C4' energy: -153.029 flat angles P-C4'-P energy: -101.132 tors. eta vs tors. theta energy: -217.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2606.685280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.685280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.685280 (E_RNA) where: Base-Base interactions energy: -1904.084 where: short stacking energy: -743.523 Base-Backbone interact. energy: 2.253 local terms energy: -704.854389 where: bonds (distance) C4'-P energy: -134.055 bonds (distance) P-C4' energy: -105.170 flat angles C4'-P-C4' energy: -141.140 flat angles P-C4'-P energy: -101.739 tors. eta vs tors. theta energy: -222.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2522.970003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.970003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.970003 (E_RNA) where: Base-Base interactions energy: -1823.956 where: short stacking energy: -716.302 Base-Backbone interact. energy: -0.784 local terms energy: -698.229916 where: bonds (distance) C4'-P energy: -120.100 bonds (distance) P-C4' energy: -120.004 flat angles C4'-P-C4' energy: -142.340 flat angles P-C4'-P energy: -106.646 tors. eta vs tors. theta energy: -209.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2482.881194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.881194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.881194 (E_RNA) where: Base-Base interactions energy: -1819.879 where: short stacking energy: -705.487 Base-Backbone interact. energy: -0.178 local terms energy: -662.824698 where: bonds (distance) C4'-P energy: -115.587 bonds (distance) P-C4' energy: -93.567 flat angles C4'-P-C4' energy: -136.293 flat angles P-C4'-P energy: -100.176 tors. eta vs tors. theta energy: -217.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2347.850622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.850622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.850622 (E_RNA) where: Base-Base interactions energy: -1742.582 where: short stacking energy: -666.472 Base-Backbone interact. energy: -0.604 local terms energy: -604.664200 where: bonds (distance) C4'-P energy: -95.767 bonds (distance) P-C4' energy: -103.999 flat angles C4'-P-C4' energy: -119.154 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -200.672 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: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2377.112137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.112137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.112137 (E_RNA) where: Base-Base interactions energy: -1747.655 where: short stacking energy: -660.630 Base-Backbone interact. energy: 3.160 local terms energy: -632.616598 where: bonds (distance) C4'-P energy: -91.337 bonds (distance) P-C4' energy: -125.876 flat angles C4'-P-C4' energy: -122.555 flat angles P-C4'-P energy: -84.692 tors. eta vs tors. theta energy: -208.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2275.105094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.105094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.105094 (E_RNA) where: Base-Base interactions energy: -1684.410 where: short stacking energy: -651.676 Base-Backbone interact. energy: -0.581 local terms energy: -590.114690 where: bonds (distance) C4'-P energy: -90.199 bonds (distance) P-C4' energy: -91.614 flat angles C4'-P-C4' energy: -121.386 flat angles P-C4'-P energy: -87.743 tors. eta vs tors. theta energy: -199.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -2019.686150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.686150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.686150 (E_RNA) where: Base-Base interactions energy: -1471.467 where: short stacking energy: -572.988 Base-Backbone interact. energy: -1.029 local terms energy: -547.189989 where: bonds (distance) C4'-P energy: -84.645 bonds (distance) P-C4' energy: -106.318 flat angles C4'-P-C4' energy: -122.058 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: -163.327 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: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1841.826912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.826912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.826912 (E_RNA) where: Base-Base interactions energy: -1313.036 where: short stacking energy: -528.171 Base-Backbone interact. energy: 1.094 local terms energy: -529.884896 where: bonds (distance) C4'-P energy: -97.264 bonds (distance) P-C4' energy: -90.257 flat angles C4'-P-C4' energy: -117.525 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -147.626 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: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2681.363324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.363324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.363324 (E_RNA) where: Base-Base interactions energy: -1948.200 where: short stacking energy: -770.677 Base-Backbone interact. energy: 1.586 local terms energy: -734.748997 where: bonds (distance) C4'-P energy: -133.357 bonds (distance) P-C4' energy: -123.352 flat angles C4'-P-C4' energy: -151.010 flat angles P-C4'-P energy: -99.584 tors. eta vs tors. theta energy: -227.446 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: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2658.324220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.324220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.324220 (E_RNA) where: Base-Base interactions energy: -1960.757 where: short stacking energy: -760.881 Base-Backbone interact. energy: -1.713 local terms energy: -695.854701 where: bonds (distance) C4'-P energy: -119.555 bonds (distance) P-C4' energy: -104.458 flat angles C4'-P-C4' energy: -147.668 flat angles P-C4'-P energy: -111.202 tors. eta vs tors. theta energy: -212.972 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: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2597.373203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.373203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.373203 (E_RNA) where: Base-Base interactions energy: -1905.943 where: short stacking energy: -733.964 Base-Backbone interact. energy: -2.744 local terms energy: -688.686046 where: bonds (distance) C4'-P energy: -97.588 bonds (distance) P-C4' energy: -124.281 flat angles C4'-P-C4' energy: -150.738 flat angles P-C4'-P energy: -98.605 tors. eta vs tors. theta energy: -217.473 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: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2511.949940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.949940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.949940 (E_RNA) where: Base-Base interactions energy: -1823.876 where: short stacking energy: -708.279 Base-Backbone interact. energy: -1.054 local terms energy: -687.019573 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -112.063 flat angles C4'-P-C4' energy: -147.006 flat angles P-C4'-P energy: -100.764 tors. eta vs tors. theta energy: -216.688 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: 385 Temperature: 1.100000 Total energy: -2487.903869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.903869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.903869 (E_RNA) where: Base-Base interactions energy: -1816.662 where: short stacking energy: -704.386 Base-Backbone interact. energy: -1.480 local terms energy: -669.761248 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -108.116 flat angles C4'-P-C4' energy: -140.713 flat angles P-C4'-P energy: -105.957 tors. eta vs tors. theta energy: -214.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2337.550853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.550853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.550853 (E_RNA) where: Base-Base interactions energy: -1702.999 where: short stacking energy: -638.960 Base-Backbone interact. energy: -1.740 local terms energy: -632.811567 where: bonds (distance) C4'-P energy: -93.881 bonds (distance) P-C4' energy: -108.343 flat angles C4'-P-C4' energy: -144.489 flat angles P-C4'-P energy: -95.936 tors. eta vs tors. theta energy: -190.162 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: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2370.034193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.034193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.034193 (E_RNA) where: Base-Base interactions energy: -1742.971 where: short stacking energy: -656.969 Base-Backbone interact. energy: -0.765 local terms energy: -626.297617 where: bonds (distance) C4'-P energy: -118.991 bonds (distance) P-C4' energy: -101.317 flat angles C4'-P-C4' energy: -120.589 flat angles P-C4'-P energy: -78.724 tors. eta vs tors. theta energy: -206.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -2278.095418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.095418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.095418 (E_RNA) where: Base-Base interactions energy: -1647.439 where: short stacking energy: -646.718 Base-Backbone interact. energy: -1.380 local terms energy: -629.276376 where: bonds (distance) C4'-P energy: -112.317 bonds (distance) P-C4' energy: -115.443 flat angles C4'-P-C4' energy: -137.842 flat angles P-C4'-P energy: -70.318 tors. eta vs tors. theta energy: -193.356 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -2103.779799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.779799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.779799 (E_RNA) where: Base-Base interactions energy: -1563.557 where: short stacking energy: -600.816 Base-Backbone interact. energy: -0.974 local terms energy: -539.248498 where: bonds (distance) C4'-P energy: -98.732 bonds (distance) P-C4' energy: -74.708 flat angles C4'-P-C4' energy: -125.786 flat angles P-C4'-P energy: -67.823 tors. eta vs tors. theta energy: -172.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1806.221138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.221138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.221138 (E_RNA) where: Base-Base interactions energy: -1313.142 where: short stacking energy: -540.795 Base-Backbone interact. energy: -2.422 local terms energy: -490.657483 where: bonds (distance) C4'-P energy: -87.633 bonds (distance) P-C4' energy: -81.728 flat angles C4'-P-C4' energy: -109.243 flat angles P-C4'-P energy: -57.286 tors. eta vs tors. theta energy: -154.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2687.834828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.834828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.834828 (E_RNA) where: Base-Base interactions energy: -1957.287 where: short stacking energy: -763.169 Base-Backbone interact. energy: 2.192 local terms energy: -732.739859 where: bonds (distance) C4'-P energy: -118.668 bonds (distance) P-C4' energy: -127.213 flat angles C4'-P-C4' energy: -146.550 flat angles P-C4'-P energy: -110.477 tors. eta vs tors. theta energy: -229.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2656.046843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.046843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.046843 (E_RNA) where: Base-Base interactions energy: -1934.058 where: short stacking energy: -737.521 Base-Backbone interact. energy: -1.807 local terms energy: -720.181345 where: bonds (distance) C4'-P energy: -127.657 bonds (distance) P-C4' energy: -124.818 flat angles C4'-P-C4' energy: -151.659 flat angles P-C4'-P energy: -96.608 tors. eta vs tors. theta energy: -219.439 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: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2586.377659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.377659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.377659 (E_RNA) where: Base-Base interactions energy: -1884.542 where: short stacking energy: -744.903 Base-Backbone interact. energy: -0.617 local terms energy: -701.219028 where: bonds (distance) C4'-P energy: -110.213 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -146.278 flat angles P-C4'-P energy: -107.930 tors. eta vs tors. theta energy: -224.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2533.478120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.478120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.478120 (E_RNA) where: Base-Base interactions energy: -1830.657 where: short stacking energy: -709.097 Base-Backbone interact. energy: -3.521 local terms energy: -699.299721 where: bonds (distance) C4'-P energy: -123.223 bonds (distance) P-C4' energy: -106.969 flat angles C4'-P-C4' energy: -152.439 flat angles P-C4'-P energy: -102.835 tors. eta vs tors. theta energy: -213.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2493.097231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.097231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.097231 (E_RNA) where: Base-Base interactions energy: -1821.166 where: short stacking energy: -697.129 Base-Backbone interact. energy: -1.195 local terms energy: -670.736960 where: bonds (distance) C4'-P energy: -129.415 bonds (distance) P-C4' energy: -100.457 flat angles C4'-P-C4' energy: -141.317 flat angles P-C4'-P energy: -100.764 tors. eta vs tors. theta energy: -198.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2371.305863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.305863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.305863 (E_RNA) where: Base-Base interactions energy: -1732.129 where: short stacking energy: -666.740 Base-Backbone interact. energy: -2.798 local terms energy: -636.379227 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -102.618 flat angles C4'-P-C4' energy: -131.244 flat angles P-C4'-P energy: -93.182 tors. eta vs tors. theta energy: -199.424 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: 386 Temperature: 1.200000 Total energy: -2383.369883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.369883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.369883 (E_RNA) where: Base-Base interactions energy: -1736.910 where: short stacking energy: -672.810 Base-Backbone interact. energy: -2.513 local terms energy: -643.947188 where: bonds (distance) C4'-P energy: -105.885 bonds (distance) P-C4' energy: -117.425 flat angles C4'-P-C4' energy: -124.481 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -207.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2265.829833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.829833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.829833 (E_RNA) where: Base-Base interactions energy: -1661.105 where: short stacking energy: -631.485 Base-Backbone interact. energy: -1.458 local terms energy: -603.266807 where: bonds (distance) C4'-P energy: -98.508 bonds (distance) P-C4' energy: -98.980 flat angles C4'-P-C4' energy: -131.104 flat angles P-C4'-P energy: -85.204 tors. eta vs tors. theta energy: -189.471 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: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -2062.828041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.828041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.828041 (E_RNA) where: Base-Base interactions energy: -1511.517 where: short stacking energy: -592.572 Base-Backbone interact. energy: -0.445 local terms energy: -550.865757 where: bonds (distance) C4'-P energy: -76.178 bonds (distance) P-C4' energy: -94.455 flat angles C4'-P-C4' energy: -125.592 flat angles P-C4'-P energy: -84.282 tors. eta vs tors. theta energy: -170.359 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: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1739.926344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.926344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.926344 (E_RNA) where: Base-Base interactions energy: -1227.576 where: short stacking energy: -503.766 Base-Backbone interact. energy: -0.721 local terms energy: -511.628903 where: bonds (distance) C4'-P energy: -101.830 bonds (distance) P-C4' energy: -97.898 flat angles C4'-P-C4' energy: -104.427 flat angles P-C4'-P energy: -67.604 tors. eta vs tors. theta energy: -139.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2702.471082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.471082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.471082 (E_RNA) where: Base-Base interactions energy: -1962.025 where: short stacking energy: -760.340 Base-Backbone interact. energy: -1.751 local terms energy: -738.694658 where: bonds (distance) C4'-P energy: -118.822 bonds (distance) P-C4' energy: -128.767 flat angles C4'-P-C4' energy: -160.390 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -219.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2672.907725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.907725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.907725 (E_RNA) where: Base-Base interactions energy: -1953.383 where: short stacking energy: -758.048 Base-Backbone interact. energy: -0.732 local terms energy: -718.792779 where: bonds (distance) C4'-P energy: -130.183 bonds (distance) P-C4' energy: -121.491 flat angles C4'-P-C4' energy: -144.930 flat angles P-C4'-P energy: -100.683 tors. eta vs tors. theta energy: -221.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2596.637956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.637956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.637956 (E_RNA) where: Base-Base interactions energy: -1897.612 where: short stacking energy: -737.039 Base-Backbone interact. energy: -1.032 local terms energy: -697.993842 where: bonds (distance) C4'-P energy: -130.210 bonds (distance) P-C4' energy: -114.105 flat angles C4'-P-C4' energy: -141.656 flat angles P-C4'-P energy: -95.063 tors. eta vs tors. theta energy: -216.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2503.363374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.363374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.363374 (E_RNA) where: Base-Base interactions energy: -1813.633 where: short stacking energy: -704.316 Base-Backbone interact. energy: 1.440 local terms energy: -691.170961 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -97.351 flat angles C4'-P-C4' energy: -146.327 flat angles P-C4'-P energy: -112.808 tors. eta vs tors. theta energy: -206.823 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: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2485.222989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.222989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.222989 (E_RNA) where: Base-Base interactions energy: -1827.715 where: short stacking energy: -705.688 Base-Backbone interact. energy: -0.288 local terms energy: -657.219725 where: bonds (distance) C4'-P energy: -118.327 bonds (distance) P-C4' energy: -106.796 flat angles C4'-P-C4' energy: -127.290 flat angles P-C4'-P energy: -99.360 tors. eta vs tors. theta energy: -205.447 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: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2429.873276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.873276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.873276 (E_RNA) where: Base-Base interactions energy: -1783.098 where: short stacking energy: -695.548 Base-Backbone interact. energy: -0.655 local terms energy: -646.119739 where: bonds (distance) C4'-P energy: -97.879 bonds (distance) P-C4' energy: -109.216 flat angles C4'-P-C4' energy: -138.281 flat angles P-C4'-P energy: -94.839 tors. eta vs tors. theta energy: -205.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2369.809420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.809420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.809420 (E_RNA) where: Base-Base interactions energy: -1733.451 where: short stacking energy: -675.195 Base-Backbone interact. energy: -1.939 local terms energy: -634.419967 where: bonds (distance) C4'-P energy: -96.570 bonds (distance) P-C4' energy: -95.868 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -202.778 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: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2261.322655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.322655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.322655 (E_RNA) where: Base-Base interactions energy: -1647.410 where: short stacking energy: -641.247 Base-Backbone interact. energy: -1.051 local terms energy: -612.861148 where: bonds (distance) C4'-P energy: -100.448 bonds (distance) P-C4' energy: -91.555 flat angles C4'-P-C4' energy: -137.316 flat angles P-C4'-P energy: -87.164 tors. eta vs tors. theta energy: -196.377 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: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1999.785591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.785591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.785591 (E_RNA) where: Base-Base interactions energy: -1468.609 where: short stacking energy: -566.352 Base-Backbone interact. energy: 3.449 local terms energy: -534.625449 where: bonds (distance) C4'-P energy: -86.994 bonds (distance) P-C4' energy: -80.986 flat angles C4'-P-C4' energy: -128.439 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -166.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1760.022761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.022761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.022761 (E_RNA) where: Base-Base interactions energy: -1257.203 where: short stacking energy: -516.630 Base-Backbone interact. energy: 0.087 local terms energy: -502.907581 where: bonds (distance) C4'-P energy: -96.683 bonds (distance) P-C4' energy: -93.819 flat angles C4'-P-C4' energy: -108.439 flat angles P-C4'-P energy: -71.382 tors. eta vs tors. theta energy: -132.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2716.104890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.104890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.104890 (E_RNA) where: Base-Base interactions energy: -1994.962 where: short stacking energy: -789.806 Base-Backbone interact. energy: -0.743 local terms energy: -720.400002 where: bonds (distance) C4'-P energy: -116.216 bonds (distance) P-C4' energy: -112.935 flat angles C4'-P-C4' energy: -161.012 flat angles P-C4'-P energy: -106.415 tors. eta vs tors. theta energy: -223.820 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: 388 Temperature: 0.950000 Total energy: -2658.056120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.056120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.056120 (E_RNA) where: Base-Base interactions energy: -1946.776 where: short stacking energy: -732.634 Base-Backbone interact. energy: 3.044 local terms energy: -714.323599 where: bonds (distance) C4'-P energy: -128.791 bonds (distance) P-C4' energy: -120.135 flat angles C4'-P-C4' energy: -147.210 flat angles P-C4'-P energy: -98.902 tors. eta vs tors. theta energy: -219.286 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: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2606.873187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.873187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.873187 (E_RNA) where: Base-Base interactions energy: -1898.441 where: short stacking energy: -742.956 Base-Backbone interact. energy: -1.192 local terms energy: -707.239956 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -118.989 flat angles C4'-P-C4' energy: -144.602 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -217.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2560.097613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.097613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.097613 (E_RNA) where: Base-Base interactions energy: -1888.908 where: short stacking energy: -738.200 Base-Backbone interact. energy: -0.651 local terms energy: -670.538278 where: bonds (distance) C4'-P energy: -108.573 bonds (distance) P-C4' energy: -111.509 flat angles C4'-P-C4' energy: -141.535 flat angles P-C4'-P energy: -93.476 tors. eta vs tors. theta energy: -215.445 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: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2477.775416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.775416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.775416 (E_RNA) where: Base-Base interactions energy: -1807.945 where: short stacking energy: -701.698 Base-Backbone interact. energy: 0.949 local terms energy: -670.779364 where: bonds (distance) C4'-P energy: -111.252 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -142.841 flat angles P-C4'-P energy: -93.923 tors. eta vs tors. theta energy: -211.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2383.602542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.602542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.602542 (E_RNA) where: Base-Base interactions energy: -1721.370 where: short stacking energy: -671.534 Base-Backbone interact. energy: -0.617 local terms energy: -661.615298 where: bonds (distance) C4'-P energy: -110.727 bonds (distance) P-C4' energy: -110.893 flat angles C4'-P-C4' energy: -144.431 flat angles P-C4'-P energy: -96.453 tors. eta vs tors. theta energy: -199.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2397.832862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.832862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.832862 (E_RNA) where: Base-Base interactions energy: -1762.340 where: short stacking energy: -675.143 Base-Backbone interact. energy: -0.533 local terms energy: -634.959340 where: bonds (distance) C4'-P energy: -110.899 bonds (distance) P-C4' energy: -102.408 flat angles C4'-P-C4' energy: -131.148 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -200.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2239.641760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.641760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.641760 (E_RNA) where: Base-Base interactions energy: -1627.977 where: short stacking energy: -629.105 Base-Backbone interact. energy: -0.529 local terms energy: -611.136012 where: bonds (distance) C4'-P energy: -112.724 bonds (distance) P-C4' energy: -103.365 flat angles C4'-P-C4' energy: -132.952 flat angles P-C4'-P energy: -80.427 tors. eta vs tors. theta energy: -181.669 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: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1993.615973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.615973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.615973 (E_RNA) where: Base-Base interactions energy: -1421.447 where: short stacking energy: -548.437 Base-Backbone interact. energy: 0.094 local terms energy: -572.262480 where: bonds (distance) C4'-P energy: -110.439 bonds (distance) P-C4' energy: -104.321 flat angles C4'-P-C4' energy: -121.811 flat angles P-C4'-P energy: -85.585 tors. eta vs tors. theta energy: -150.107 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: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1780.147778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.147778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.147778 (E_RNA) where: Base-Base interactions energy: -1261.846 where: short stacking energy: -506.054 Base-Backbone interact. energy: -0.404 local terms energy: -517.898151 where: bonds (distance) C4'-P energy: -102.219 bonds (distance) P-C4' energy: -101.605 flat angles C4'-P-C4' energy: -110.452 flat angles P-C4'-P energy: -70.775 tors. eta vs tors. theta energy: -132.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2697.864040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.864040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.864040 (E_RNA) where: Base-Base interactions energy: -1975.815 where: short stacking energy: -767.343 Base-Backbone interact. energy: -2.288 local terms energy: -719.760700 where: bonds (distance) C4'-P energy: -133.350 bonds (distance) P-C4' energy: -117.970 flat angles C4'-P-C4' energy: -135.182 flat angles P-C4'-P energy: -107.895 tors. eta vs tors. theta energy: -225.365 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: 389 Temperature: 0.950000 Total energy: -2641.906947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.906947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.906947 (E_RNA) where: Base-Base interactions energy: -1929.273 where: short stacking energy: -725.395 Base-Backbone interact. energy: 1.574 local terms energy: -714.208069 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -124.246 flat angles C4'-P-C4' energy: -155.544 flat angles P-C4'-P energy: -99.158 tors. eta vs tors. theta energy: -220.446 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: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2596.127685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.127685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.127685 (E_RNA) where: Base-Base interactions energy: -1881.088 where: short stacking energy: -737.902 Base-Backbone interact. energy: -1.942 local terms energy: -713.097454 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -111.487 flat angles C4'-P-C4' energy: -144.209 flat angles P-C4'-P energy: -103.108 tors. eta vs tors. theta energy: -219.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2564.296455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.296455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.296455 (E_RNA) where: Base-Base interactions energy: -1880.339 where: short stacking energy: -724.553 Base-Backbone interact. energy: -1.520 local terms energy: -682.437292 where: bonds (distance) C4'-P energy: -116.972 bonds (distance) P-C4' energy: -103.274 flat angles C4'-P-C4' energy: -146.504 flat angles P-C4'-P energy: -97.280 tors. eta vs tors. theta energy: -218.409 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: 389 Temperature: 1.100000 Total energy: -2484.267315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.267315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.267315 (E_RNA) where: Base-Base interactions energy: -1811.462 where: short stacking energy: -695.527 Base-Backbone interact. energy: -2.551 local terms energy: -670.254977 where: bonds (distance) C4'-P energy: -97.286 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -146.453 flat angles P-C4'-P energy: -87.561 tors. eta vs tors. theta energy: -213.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2379.681185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.681185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.681185 (E_RNA) where: Base-Base interactions energy: -1752.434 where: short stacking energy: -691.010 Base-Backbone interact. energy: 5.389 local terms energy: -632.636032 where: bonds (distance) C4'-P energy: -113.216 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -130.583 flat angles P-C4'-P energy: -86.761 tors. eta vs tors. theta energy: -201.138 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: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2338.726828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.726828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.726828 (E_RNA) where: Base-Base interactions energy: -1684.878 where: short stacking energy: -643.181 Base-Backbone interact. energy: -0.437 local terms energy: -653.412270 where: bonds (distance) C4'-P energy: -117.897 bonds (distance) P-C4' energy: -112.228 flat angles C4'-P-C4' energy: -132.944 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -194.514 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: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2284.911422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.911422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.911422 (E_RNA) where: Base-Base interactions energy: -1640.778 where: short stacking energy: -644.014 Base-Backbone interact. energy: 0.399 local terms energy: -644.532421 where: bonds (distance) C4'-P energy: -106.637 bonds (distance) P-C4' energy: -114.806 flat angles C4'-P-C4' energy: -135.728 flat angles P-C4'-P energy: -93.175 tors. eta vs tors. theta energy: -194.186 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: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -2045.237649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.237649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.237649 (E_RNA) where: Base-Base interactions energy: -1474.563 where: short stacking energy: -579.242 Base-Backbone interact. energy: -0.078 local terms energy: -570.596608 where: bonds (distance) C4'-P energy: -88.073 bonds (distance) P-C4' energy: -107.346 flat angles C4'-P-C4' energy: -129.256 flat angles P-C4'-P energy: -84.282 tors. eta vs tors. theta energy: -161.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1793.341768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.341768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.341768 (E_RNA) where: Base-Base interactions energy: -1262.591 where: short stacking energy: -510.426 Base-Backbone interact. energy: 1.064 local terms energy: -531.815422 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -90.026 flat angles C4'-P-C4' energy: -125.804 flat angles P-C4'-P energy: -79.572 tors. eta vs tors. theta energy: -139.900 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: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2687.082129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.082129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.082129 (E_RNA) where: Base-Base interactions energy: -1969.102 where: short stacking energy: -766.496 Base-Backbone interact. energy: -0.929 local terms energy: -717.051515 where: bonds (distance) C4'-P energy: -117.804 bonds (distance) P-C4' energy: -120.453 flat angles C4'-P-C4' energy: -147.784 flat angles P-C4'-P energy: -104.454 tors. eta vs tors. theta energy: -226.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2661.139634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.139634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.139634 (E_RNA) where: Base-Base interactions energy: -1960.338 where: short stacking energy: -758.135 Base-Backbone interact. energy: 1.303 local terms energy: -702.104507 where: bonds (distance) C4'-P energy: -108.663 bonds (distance) P-C4' energy: -122.681 flat angles C4'-P-C4' energy: -150.198 flat angles P-C4'-P energy: -103.436 tors. eta vs tors. theta energy: -217.127 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: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2567.413231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.413231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.413231 (E_RNA) where: Base-Base interactions energy: -1867.501 where: short stacking energy: -720.581 Base-Backbone interact. energy: -2.534 local terms energy: -697.378630 where: bonds (distance) C4'-P energy: -124.953 bonds (distance) P-C4' energy: -116.684 flat angles C4'-P-C4' energy: -141.579 flat angles P-C4'-P energy: -100.932 tors. eta vs tors. theta energy: -213.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2560.313134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.313134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.313134 (E_RNA) where: Base-Base interactions energy: -1886.870 where: short stacking energy: -728.741 Base-Backbone interact. energy: 6.046 local terms energy: -679.489981 where: bonds (distance) C4'-P energy: -116.421 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -137.101 flat angles P-C4'-P energy: -93.524 tors. eta vs tors. theta energy: -220.735 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: 390 Temperature: 1.100000 Total energy: -2454.680346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.680346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.680346 (E_RNA) where: Base-Base interactions energy: -1816.359 where: short stacking energy: -695.186 Base-Backbone interact. energy: 0.615 local terms energy: -638.936291 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -110.749 flat angles C4'-P-C4' energy: -138.860 flat angles P-C4'-P energy: -82.455 tors. eta vs tors. theta energy: -206.859 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: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2417.664811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.664811 (E_RNA) where: Base-Base interactions energy: -1780.136 where: short stacking energy: -679.927 Base-Backbone interact. energy: 0.042 local terms energy: -637.571038 where: bonds (distance) C4'-P energy: -106.811 bonds (distance) P-C4' energy: -103.646 flat angles C4'-P-C4' energy: -136.053 flat angles P-C4'-P energy: -94.501 tors. eta vs tors. theta energy: -196.561 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: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2390.018349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.018349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.018349 (E_RNA) where: Base-Base interactions energy: -1744.133 where: short stacking energy: -682.976 Base-Backbone interact. energy: -0.568 local terms energy: -645.317969 where: bonds (distance) C4'-P energy: -95.599 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -142.679 flat angles P-C4'-P energy: -91.404 tors. eta vs tors. theta energy: -204.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -2266.780001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.780001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.780001 (E_RNA) where: Base-Base interactions energy: -1635.765 where: short stacking energy: -641.024 Base-Backbone interact. energy: 0.186 local terms energy: -631.200992 where: bonds (distance) C4'-P energy: -107.161 bonds (distance) P-C4' energy: -111.952 flat angles C4'-P-C4' energy: -134.021 flat angles P-C4'-P energy: -88.268 tors. eta vs tors. theta energy: -189.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -2012.423694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.423694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.423694 (E_RNA) where: Base-Base interactions energy: -1475.977 where: short stacking energy: -564.237 Base-Backbone interact. energy: -0.716 local terms energy: -535.730487 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -107.442 flat angles C4'-P-C4' energy: -111.846 flat angles P-C4'-P energy: -75.386 tors. eta vs tors. theta energy: -148.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1817.030186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.030186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.030186 (E_RNA) where: Base-Base interactions energy: -1310.018 where: short stacking energy: -498.877 Base-Backbone interact. energy: 1.338 local terms energy: -508.350259 where: bonds (distance) C4'-P energy: -102.291 bonds (distance) P-C4' energy: -94.675 flat angles C4'-P-C4' energy: -115.324 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -136.695 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: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2716.667379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.667379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.667379 (E_RNA) where: Base-Base interactions energy: -1982.069 where: short stacking energy: -774.494 Base-Backbone interact. energy: -1.625 local terms energy: -732.973819 where: bonds (distance) C4'-P energy: -125.014 bonds (distance) P-C4' energy: -116.024 flat angles C4'-P-C4' energy: -149.113 flat angles P-C4'-P energy: -116.403 tors. eta vs tors. theta energy: -226.421 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: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2646.205992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.205992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.205992 (E_RNA) where: Base-Base interactions energy: -1944.559 where: short stacking energy: -746.275 Base-Backbone interact. energy: -1.065 local terms energy: -700.581503 where: bonds (distance) C4'-P energy: -127.347 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -94.551 tors. eta vs tors. theta energy: -215.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2551.749113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.749113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.749113 (E_RNA) where: Base-Base interactions energy: -1857.971 where: short stacking energy: -718.017 Base-Backbone interact. energy: -1.011 local terms energy: -692.767357 where: bonds (distance) C4'-P energy: -108.222 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -151.165 flat angles P-C4'-P energy: -102.216 tors. eta vs tors. theta energy: -213.462 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: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2583.674949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.674949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.674949 (E_RNA) where: Base-Base interactions energy: -1914.539 where: short stacking energy: -756.039 Base-Backbone interact. energy: -0.632 local terms energy: -668.503645 where: bonds (distance) C4'-P energy: -100.272 bonds (distance) P-C4' energy: -112.462 flat angles C4'-P-C4' energy: -138.540 flat angles P-C4'-P energy: -95.649 tors. eta vs tors. theta energy: -221.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2482.870295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.870295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.870295 (E_RNA) where: Base-Base interactions energy: -1800.118 where: short stacking energy: -675.094 Base-Backbone interact. energy: -1.439 local terms energy: -681.312953 where: bonds (distance) C4'-P energy: -104.417 bonds (distance) P-C4' energy: -125.895 flat angles C4'-P-C4' energy: -143.780 flat angles P-C4'-P energy: -98.061 tors. eta vs tors. theta energy: -209.159 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: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2389.151914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.151914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.151914 (E_RNA) where: Base-Base interactions energy: -1758.104 where: short stacking energy: -689.010 Base-Backbone interact. energy: 3.214 local terms energy: -634.261785 where: bonds (distance) C4'-P energy: -103.033 bonds (distance) P-C4' energy: -113.530 flat angles C4'-P-C4' energy: -127.305 flat angles P-C4'-P energy: -87.147 tors. eta vs tors. theta energy: -203.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2372.846766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.846766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.846766 (E_RNA) where: Base-Base interactions energy: -1732.376 where: short stacking energy: -674.936 Base-Backbone interact. energy: 0.653 local terms energy: -641.124099 where: bonds (distance) C4'-P energy: -112.198 bonds (distance) P-C4' energy: -89.580 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -205.214 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: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2254.903223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.903223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.903223 (E_RNA) where: Base-Base interactions energy: -1664.205 where: short stacking energy: -643.192 Base-Backbone interact. energy: -0.795 local terms energy: -589.903395 where: bonds (distance) C4'-P energy: -102.485 bonds (distance) P-C4' energy: -96.247 flat angles C4'-P-C4' energy: -121.777 flat angles P-C4'-P energy: -77.661 tors. eta vs tors. theta energy: -191.734 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: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1994.221223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.221223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.221223 (E_RNA) where: Base-Base interactions energy: -1466.481 where: short stacking energy: -576.751 Base-Backbone interact. energy: 2.693 local terms energy: -530.432692 where: bonds (distance) C4'-P energy: -95.391 bonds (distance) P-C4' energy: -84.319 flat angles C4'-P-C4' energy: -114.474 flat angles P-C4'-P energy: -78.717 tors. eta vs tors. theta energy: -157.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1844.900285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.900285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.900285 (E_RNA) where: Base-Base interactions energy: -1323.466 where: short stacking energy: -530.687 Base-Backbone interact. energy: -2.392 local terms energy: -519.042469 where: bonds (distance) C4'-P energy: -93.128 bonds (distance) P-C4' energy: -90.408 flat angles C4'-P-C4' energy: -115.080 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -141.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2684.304222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.304222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.304222 (E_RNA) where: Base-Base interactions energy: -1957.599 where: short stacking energy: -757.992 Base-Backbone interact. energy: -1.216 local terms energy: -725.489182 where: bonds (distance) C4'-P energy: -120.654 bonds (distance) P-C4' energy: -120.737 flat angles C4'-P-C4' energy: -153.974 flat angles P-C4'-P energy: -103.845 tors. eta vs tors. theta energy: -226.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2623.279658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.279658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.279658 (E_RNA) where: Base-Base interactions energy: -1925.112 where: short stacking energy: -727.758 Base-Backbone interact. energy: -0.534 local terms energy: -697.633834 where: bonds (distance) C4'-P energy: -120.815 bonds (distance) P-C4' energy: -127.353 flat angles C4'-P-C4' energy: -137.763 flat angles P-C4'-P energy: -102.715 tors. eta vs tors. theta energy: -208.988 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: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2557.475964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.475964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.475964 (E_RNA) where: Base-Base interactions energy: -1832.783 where: short stacking energy: -720.219 Base-Backbone interact. energy: -1.884 local terms energy: -722.809193 where: bonds (distance) C4'-P energy: -138.612 bonds (distance) P-C4' energy: -126.308 flat angles C4'-P-C4' energy: -145.035 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -207.229 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: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2569.149612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.149612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.149612 (E_RNA) where: Base-Base interactions energy: -1891.656 where: short stacking energy: -725.478 Base-Backbone interact. energy: -3.911 local terms energy: -673.581765 where: bonds (distance) C4'-P energy: -101.008 bonds (distance) P-C4' energy: -106.943 flat angles C4'-P-C4' energy: -150.768 flat angles P-C4'-P energy: -97.319 tors. eta vs tors. theta energy: -217.544 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: 392 Temperature: 1.100000 Total energy: -2448.354493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.354493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.354493 (E_RNA) where: Base-Base interactions energy: -1801.223 where: short stacking energy: -699.254 Base-Backbone interact. energy: 1.632 local terms energy: -648.763978 where: bonds (distance) C4'-P energy: -90.153 bonds (distance) P-C4' energy: -114.494 flat angles C4'-P-C4' energy: -139.570 flat angles P-C4'-P energy: -100.181 tors. eta vs tors. theta energy: -204.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2417.474178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.474178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.474178 (E_RNA) where: Base-Base interactions energy: -1781.002 where: short stacking energy: -695.582 Base-Backbone interact. energy: -1.133 local terms energy: -635.339072 where: bonds (distance) C4'-P energy: -94.011 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -141.081 flat angles P-C4'-P energy: -92.898 tors. eta vs tors. theta energy: -205.810 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: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2393.304738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.304738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.304738 (E_RNA) where: Base-Base interactions energy: -1761.286 where: short stacking energy: -669.629 Base-Backbone interact. energy: -0.597 local terms energy: -631.422186 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -85.947 flat angles C4'-P-C4' energy: -124.728 flat angles P-C4'-P energy: -92.694 tors. eta vs tors. theta energy: -204.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -2296.437723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.437723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.437723 (E_RNA) where: Base-Base interactions energy: -1694.114 where: short stacking energy: -647.621 Base-Backbone interact. energy: -1.163 local terms energy: -601.160663 where: bonds (distance) C4'-P energy: -89.016 bonds (distance) P-C4' energy: -96.086 flat angles C4'-P-C4' energy: -122.464 flat angles P-C4'-P energy: -90.344 tors. eta vs tors. theta energy: -203.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -2029.297298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.297298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.297298 (E_RNA) where: Base-Base interactions energy: -1464.548 where: short stacking energy: -569.251 Base-Backbone interact. energy: -0.886 local terms energy: -563.863111 where: bonds (distance) C4'-P energy: -98.001 bonds (distance) P-C4' energy: -105.683 flat angles C4'-P-C4' energy: -126.803 flat angles P-C4'-P energy: -72.150 tors. eta vs tors. theta energy: -161.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1729.779868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.779868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.779868 (E_RNA) where: Base-Base interactions energy: -1252.488 where: short stacking energy: -501.708 Base-Backbone interact. energy: 2.077 local terms energy: -479.369176 where: bonds (distance) C4'-P energy: -86.306 bonds (distance) P-C4' energy: -74.746 flat angles C4'-P-C4' energy: -105.963 flat angles P-C4'-P energy: -79.797 tors. eta vs tors. theta energy: -132.556 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: 1, replica: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2699.655349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.655349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.655349 (E_RNA) where: Base-Base interactions energy: -1977.850 where: short stacking energy: -752.818 Base-Backbone interact. energy: -1.726 local terms energy: -720.079678 where: bonds (distance) C4'-P energy: -122.422 bonds (distance) P-C4' energy: -127.440 flat angles C4'-P-C4' energy: -147.588 flat angles P-C4'-P energy: -99.524 tors. eta vs tors. theta energy: -223.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2627.023212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.023212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.023212 (E_RNA) where: Base-Base interactions energy: -1962.610 where: short stacking energy: -768.980 Base-Backbone interact. energy: -1.702 local terms energy: -662.711653 where: bonds (distance) C4'-P energy: -114.096 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -132.837 flat angles P-C4'-P energy: -94.121 tors. eta vs tors. theta energy: -213.551 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: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2535.929835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.929835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.929835 (E_RNA) where: Base-Base interactions energy: -1837.781 where: short stacking energy: -718.993 Base-Backbone interact. energy: -2.765 local terms energy: -695.384054 where: bonds (distance) C4'-P energy: -114.323 bonds (distance) P-C4' energy: -122.269 flat angles C4'-P-C4' energy: -141.710 flat angles P-C4'-P energy: -104.176 tors. eta vs tors. theta energy: -212.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2560.963932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.963932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.963932 (E_RNA) where: Base-Base interactions energy: -1880.716 where: short stacking energy: -753.654 Base-Backbone interact. energy: 0.692 local terms energy: -680.939992 where: bonds (distance) C4'-P energy: -107.610 bonds (distance) P-C4' energy: -126.597 flat angles C4'-P-C4' energy: -133.849 flat angles P-C4'-P energy: -91.188 tors. eta vs tors. theta energy: -221.697 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: 393 Temperature: 1.100000 Total energy: -2451.243541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.243541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.243541 (E_RNA) where: Base-Base interactions energy: -1787.246 where: short stacking energy: -682.107 Base-Backbone interact. energy: -1.388 local terms energy: -662.609676 where: bonds (distance) C4'-P energy: -114.518 bonds (distance) P-C4' energy: -106.187 flat angles C4'-P-C4' energy: -141.170 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -201.295 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: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2439.623072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.623072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.623072 (E_RNA) where: Base-Base interactions energy: -1792.543 where: short stacking energy: -712.617 Base-Backbone interact. energy: -2.084 local terms energy: -644.995479 where: bonds (distance) C4'-P energy: -100.970 bonds (distance) P-C4' energy: -99.131 flat angles C4'-P-C4' energy: -133.158 flat angles P-C4'-P energy: -107.336 tors. eta vs tors. theta energy: -204.401 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: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2385.147263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.147263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.147263 (E_RNA) where: Base-Base interactions energy: -1770.877 where: short stacking energy: -669.681 Base-Backbone interact. energy: 4.513 local terms energy: -618.783734 where: bonds (distance) C4'-P energy: -88.648 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -128.437 flat angles P-C4'-P energy: -91.628 tors. eta vs tors. theta energy: -201.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -2289.350332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.350332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.350332 (E_RNA) where: Base-Base interactions energy: -1673.444 where: short stacking energy: -633.901 Base-Backbone interact. energy: -0.900 local terms energy: -615.006203 where: bonds (distance) C4'-P energy: -109.130 bonds (distance) P-C4' energy: -94.893 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -85.530 tors. eta vs tors. theta energy: -190.332 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: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -2050.385758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.385758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.385758 (E_RNA) where: Base-Base interactions energy: -1481.462 where: short stacking energy: -566.519 Base-Backbone interact. energy: -1.698 local terms energy: -567.226546 where: bonds (distance) C4'-P energy: -101.862 bonds (distance) P-C4' energy: -101.511 flat angles C4'-P-C4' energy: -113.391 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -169.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1746.420956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.420956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.420956 (E_RNA) where: Base-Base interactions energy: -1235.166 where: short stacking energy: -504.484 Base-Backbone interact. energy: -1.405 local terms energy: -509.850074 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -91.600 flat angles C4'-P-C4' energy: -124.035 flat angles P-C4'-P energy: -69.934 tors. eta vs tors. theta energy: -137.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2711.521186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.521186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.521186 (E_RNA) where: Base-Base interactions energy: -1978.754 where: short stacking energy: -758.380 Base-Backbone interact. energy: -3.390 local terms energy: -729.377123 where: bonds (distance) C4'-P energy: -125.824 bonds (distance) P-C4' energy: -119.647 flat angles C4'-P-C4' energy: -148.836 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -230.025 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: 2, replica: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2636.037458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.037458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.037458 (E_RNA) where: Base-Base interactions energy: -1960.208 where: short stacking energy: -737.981 Base-Backbone interact. energy: -1.082 local terms energy: -674.747115 where: bonds (distance) C4'-P energy: -111.769 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -144.637 flat angles P-C4'-P energy: -94.351 tors. eta vs tors. theta energy: -214.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2613.770234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.770234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.770234 (E_RNA) where: Base-Base interactions energy: -1915.744 where: short stacking energy: -743.970 Base-Backbone interact. energy: 1.920 local terms energy: -699.946262 where: bonds (distance) C4'-P energy: -120.756 bonds (distance) P-C4' energy: -112.415 flat angles C4'-P-C4' energy: -143.060 flat angles P-C4'-P energy: -96.335 tors. eta vs tors. theta energy: -227.380 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: 394 Temperature: 1.050000 Total energy: -2511.791631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.791631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.791631 (E_RNA) where: Base-Base interactions energy: -1842.995 where: short stacking energy: -709.920 Base-Backbone interact. energy: -1.573 local terms energy: -667.222808 where: bonds (distance) C4'-P energy: -104.869 bonds (distance) P-C4' energy: -112.545 flat angles C4'-P-C4' energy: -142.184 flat angles P-C4'-P energy: -101.155 tors. eta vs tors. theta energy: -206.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2482.717726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.717726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.717726 (E_RNA) where: Base-Base interactions energy: -1823.652 where: short stacking energy: -693.666 Base-Backbone interact. energy: 0.221 local terms energy: -659.286875 where: bonds (distance) C4'-P energy: -104.232 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -142.063 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -206.780 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: 394 Temperature: 1.150000 Total energy: -2384.322743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.322743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.322743 (E_RNA) where: Base-Base interactions energy: -1760.201 where: short stacking energy: -673.508 Base-Backbone interact. energy: -1.004 local terms energy: -623.117459 where: bonds (distance) C4'-P energy: -114.515 bonds (distance) P-C4' energy: -98.706 flat angles C4'-P-C4' energy: -129.458 flat angles P-C4'-P energy: -86.675 tors. eta vs tors. theta energy: -193.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2415.340111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.340111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.340111 (E_RNA) where: Base-Base interactions energy: -1782.815 where: short stacking energy: -678.754 Base-Backbone interact. energy: -0.658 local terms energy: -631.866997 where: bonds (distance) C4'-P energy: -97.307 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -132.303 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -210.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2231.549057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.549057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.549057 (E_RNA) where: Base-Base interactions energy: -1633.940 where: short stacking energy: -626.965 Base-Backbone interact. energy: -1.421 local terms energy: -596.188011 where: bonds (distance) C4'-P energy: -100.598 bonds (distance) P-C4' energy: -110.460 flat angles C4'-P-C4' energy: -127.602 flat angles P-C4'-P energy: -80.232 tors. eta vs tors. theta energy: -177.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1929.631865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.631865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.631865 (E_RNA) where: Base-Base interactions energy: -1383.901 where: short stacking energy: -532.403 Base-Backbone interact. energy: -0.147 local terms energy: -545.582904 where: bonds (distance) C4'-P energy: -115.732 bonds (distance) P-C4' energy: -94.759 flat angles C4'-P-C4' energy: -112.533 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -145.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1796.984323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.984323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.984323 (E_RNA) where: Base-Base interactions energy: -1272.053 where: short stacking energy: -514.697 Base-Backbone interact. energy: 1.887 local terms energy: -526.818548 where: bonds (distance) C4'-P energy: -91.090 bonds (distance) P-C4' energy: -95.244 flat angles C4'-P-C4' energy: -121.184 flat angles P-C4'-P energy: -73.192 tors. eta vs tors. theta energy: -146.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2700.314838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.314838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.314838 (E_RNA) where: Base-Base interactions energy: -1965.455 where: short stacking energy: -760.352 Base-Backbone interact. energy: 0.632 local terms energy: -735.492092 where: bonds (distance) C4'-P energy: -126.040 bonds (distance) P-C4' energy: -119.260 flat angles C4'-P-C4' energy: -149.070 flat angles P-C4'-P energy: -113.069 tors. eta vs tors. theta energy: -228.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2656.433693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.433693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.433693 (E_RNA) where: Base-Base interactions energy: -1923.902 where: short stacking energy: -739.198 Base-Backbone interact. energy: 2.293 local terms energy: -734.824867 where: bonds (distance) C4'-P energy: -125.471 bonds (distance) P-C4' energy: -133.672 flat angles C4'-P-C4' energy: -154.882 flat angles P-C4'-P energy: -91.570 tors. eta vs tors. theta energy: -229.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2613.327754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.327754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.327754 (E_RNA) where: Base-Base interactions energy: -1923.986 where: short stacking energy: -746.662 Base-Backbone interact. energy: -1.135 local terms energy: -688.206301 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -114.919 flat angles C4'-P-C4' energy: -154.149 flat angles P-C4'-P energy: -93.306 tors. eta vs tors. theta energy: -218.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2504.599375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.599375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.599375 (E_RNA) where: Base-Base interactions energy: -1851.171 where: short stacking energy: -704.529 Base-Backbone interact. energy: -0.304 local terms energy: -653.124223 where: bonds (distance) C4'-P energy: -104.635 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -144.984 flat angles P-C4'-P energy: -84.013 tors. eta vs tors. theta energy: -208.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2467.086385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.086385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.086385 (E_RNA) where: Base-Base interactions energy: -1810.051 where: short stacking energy: -701.484 Base-Backbone interact. energy: -0.886 local terms energy: -656.149297 where: bonds (distance) C4'-P energy: -101.390 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -135.262 flat angles P-C4'-P energy: -99.275 tors. eta vs tors. theta energy: -203.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2443.764326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.764326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.764326 (E_RNA) where: Base-Base interactions energy: -1795.736 where: short stacking energy: -696.982 Base-Backbone interact. energy: 0.854 local terms energy: -648.882682 where: bonds (distance) C4'-P energy: -108.561 bonds (distance) P-C4' energy: -106.594 flat angles C4'-P-C4' energy: -134.427 flat angles P-C4'-P energy: -94.902 tors. eta vs tors. theta energy: -204.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2338.263601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.263601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.263601 (E_RNA) where: Base-Base interactions energy: -1732.856 where: short stacking energy: -650.364 Base-Backbone interact. energy: -1.123 local terms energy: -604.283977 where: bonds (distance) C4'-P energy: -107.068 bonds (distance) P-C4' energy: -85.472 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -202.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2213.020746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.020746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.020746 (E_RNA) where: Base-Base interactions energy: -1614.901 where: short stacking energy: -619.061 Base-Backbone interact. energy: 1.664 local terms energy: -599.783494 where: bonds (distance) C4'-P energy: -111.218 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -119.839 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -179.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1928.770189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.770189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.770189 (E_RNA) where: Base-Base interactions energy: -1408.932 where: short stacking energy: -528.509 Base-Backbone interact. energy: 5.289 local terms energy: -525.127699 where: bonds (distance) C4'-P energy: -100.153 bonds (distance) P-C4' energy: -93.928 flat angles C4'-P-C4' energy: -104.524 flat angles P-C4'-P energy: -70.338 tors. eta vs tors. theta energy: -156.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1796.690725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.690725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.690725 (E_RNA) where: Base-Base interactions energy: -1266.436 where: short stacking energy: -494.740 Base-Backbone interact. energy: -0.290 local terms energy: -529.964737 where: bonds (distance) C4'-P energy: -95.072 bonds (distance) P-C4' energy: -107.481 flat angles C4'-P-C4' energy: -129.057 flat angles P-C4'-P energy: -72.330 tors. eta vs tors. theta energy: -126.025 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: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2706.861818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.861818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.861818 (E_RNA) where: Base-Base interactions energy: -1970.192 where: short stacking energy: -769.715 Base-Backbone interact. energy: -0.627 local terms energy: -736.042868 where: bonds (distance) C4'-P energy: -121.620 bonds (distance) P-C4' energy: -126.933 flat angles C4'-P-C4' energy: -157.107 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -225.038 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: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2628.244709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.244709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.244709 (E_RNA) where: Base-Base interactions energy: -1907.905 where: short stacking energy: -754.238 Base-Backbone interact. energy: -2.164 local terms energy: -718.175742 where: bonds (distance) C4'-P energy: -119.931 bonds (distance) P-C4' energy: -119.877 flat angles C4'-P-C4' energy: -153.962 flat angles P-C4'-P energy: -96.911 tors. eta vs tors. theta energy: -227.495 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: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2588.442574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.442574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.442574 (E_RNA) where: Base-Base interactions energy: -1927.658 where: short stacking energy: -720.190 Base-Backbone interact. energy: -0.075 local terms energy: -660.709359 where: bonds (distance) C4'-P energy: -98.901 bonds (distance) P-C4' energy: -116.511 flat angles C4'-P-C4' energy: -136.637 flat angles P-C4'-P energy: -105.384 tors. eta vs tors. theta energy: -203.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2507.170721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.170721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.170721 (E_RNA) where: Base-Base interactions energy: -1827.869 where: short stacking energy: -705.319 Base-Backbone interact. energy: -1.059 local terms energy: -678.241895 where: bonds (distance) C4'-P energy: -118.448 bonds (distance) P-C4' energy: -112.674 flat angles C4'-P-C4' energy: -135.191 flat angles P-C4'-P energy: -99.870 tors. eta vs tors. theta energy: -212.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2486.502624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.502624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.502624 (E_RNA) where: Base-Base interactions energy: -1829.736 where: short stacking energy: -700.038 Base-Backbone interact. energy: -0.739 local terms energy: -656.027628 where: bonds (distance) C4'-P energy: -97.533 bonds (distance) P-C4' energy: -107.460 flat angles C4'-P-C4' energy: -142.654 flat angles P-C4'-P energy: -94.495 tors. eta vs tors. theta energy: -213.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2436.438304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.438304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.438304 (E_RNA) where: Base-Base interactions energy: -1765.870 where: short stacking energy: -674.422 Base-Backbone interact. energy: 0.079 local terms energy: -670.647665 where: bonds (distance) C4'-P energy: -129.585 bonds (distance) P-C4' energy: -112.644 flat angles C4'-P-C4' energy: -131.191 flat angles P-C4'-P energy: -92.036 tors. eta vs tors. theta energy: -205.191 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: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2334.383634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.383634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.383634 (E_RNA) where: Base-Base interactions energy: -1717.005 where: short stacking energy: -658.006 Base-Backbone interact. energy: -1.426 local terms energy: -615.951854 where: bonds (distance) C4'-P energy: -96.110 bonds (distance) P-C4' energy: -102.243 flat angles C4'-P-C4' energy: -123.541 flat angles P-C4'-P energy: -98.454 tors. eta vs tors. theta energy: -195.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -2250.529086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.529086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.529086 (E_RNA) where: Base-Base interactions energy: -1651.558 where: short stacking energy: -625.934 Base-Backbone interact. energy: 1.436 local terms energy: -600.406290 where: bonds (distance) C4'-P energy: -99.378 bonds (distance) P-C4' energy: -88.171 flat angles C4'-P-C4' energy: -126.542 flat angles P-C4'-P energy: -101.245 tors. eta vs tors. theta energy: -185.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1897.324715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.324715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.324715 (E_RNA) where: Base-Base interactions energy: -1370.911 where: short stacking energy: -537.276 Base-Backbone interact. energy: 4.561 local terms energy: -530.974607 where: bonds (distance) C4'-P energy: -109.074 bonds (distance) P-C4' energy: -84.417 flat angles C4'-P-C4' energy: -117.199 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -161.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1804.216108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.216108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.216108 (E_RNA) where: Base-Base interactions energy: -1278.180 where: short stacking energy: -512.739 Base-Backbone interact. energy: 0.598 local terms energy: -526.634007 where: bonds (distance) C4'-P energy: -103.587 bonds (distance) P-C4' energy: -92.494 flat angles C4'-P-C4' energy: -116.481 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -139.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2700.683331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.683331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.683331 (E_RNA) where: Base-Base interactions energy: -1979.235 where: short stacking energy: -767.009 Base-Backbone interact. energy: -0.363 local terms energy: -721.085100 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -120.915 flat angles C4'-P-C4' energy: -152.431 flat angles P-C4'-P energy: -103.854 tors. eta vs tors. theta energy: -230.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2640.716624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.716624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.716624 (E_RNA) where: Base-Base interactions energy: -1912.092 where: short stacking energy: -738.668 Base-Backbone interact. energy: -1.513 local terms energy: -727.112266 where: bonds (distance) C4'-P energy: -118.936 bonds (distance) P-C4' energy: -122.279 flat angles C4'-P-C4' energy: -155.849 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -220.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2600.113672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.113672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.113672 (E_RNA) where: Base-Base interactions energy: -1898.346 where: short stacking energy: -712.440 Base-Backbone interact. energy: 0.174 local terms energy: -701.942321 where: bonds (distance) C4'-P energy: -120.422 bonds (distance) P-C4' energy: -128.978 flat angles C4'-P-C4' energy: -150.339 flat angles P-C4'-P energy: -93.867 tors. eta vs tors. theta energy: -208.335 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: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2506.463260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.463260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.463260 (E_RNA) where: Base-Base interactions energy: -1806.689 where: short stacking energy: -711.096 Base-Backbone interact. energy: -1.848 local terms energy: -697.926513 where: bonds (distance) C4'-P energy: -116.717 bonds (distance) P-C4' energy: -126.573 flat angles C4'-P-C4' energy: -146.800 flat angles P-C4'-P energy: -93.778 tors. eta vs tors. theta energy: -214.059 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: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2500.336106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.336106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.336106 (E_RNA) where: Base-Base interactions energy: -1822.385 where: short stacking energy: -705.370 Base-Backbone interact. energy: -0.765 local terms energy: -677.186244 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -104.374 flat angles C4'-P-C4' energy: -144.792 flat angles P-C4'-P energy: -96.822 tors. eta vs tors. theta energy: -213.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2388.565463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.565463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.565463 (E_RNA) where: Base-Base interactions energy: -1751.600 where: short stacking energy: -692.209 Base-Backbone interact. energy: -0.588 local terms energy: -636.376738 where: bonds (distance) C4'-P energy: -95.861 bonds (distance) P-C4' energy: -111.334 flat angles C4'-P-C4' energy: -135.369 flat angles P-C4'-P energy: -92.262 tors. eta vs tors. theta energy: -201.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2339.316058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.316058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.316058 (E_RNA) where: Base-Base interactions energy: -1707.101 where: short stacking energy: -643.367 Base-Backbone interact. energy: 0.049 local terms energy: -632.264513 where: bonds (distance) C4'-P energy: -96.305 bonds (distance) P-C4' energy: -102.648 flat angles C4'-P-C4' energy: -144.124 flat angles P-C4'-P energy: -87.047 tors. eta vs tors. theta energy: -202.140 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: 397 Temperature: 1.250000 Total energy: -2250.629848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.629848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.629848 (E_RNA) where: Base-Base interactions energy: -1680.829 where: short stacking energy: -644.572 Base-Backbone interact. energy: -0.199 local terms energy: -569.602102 where: bonds (distance) C4'-P energy: -101.438 bonds (distance) P-C4' energy: -86.513 flat angles C4'-P-C4' energy: -128.153 flat angles P-C4'-P energy: -67.726 tors. eta vs tors. theta energy: -185.773 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: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1962.073198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.073198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.073198 (E_RNA) where: Base-Base interactions energy: -1424.317 where: short stacking energy: -546.110 Base-Backbone interact. energy: -2.114 local terms energy: -535.642070 where: bonds (distance) C4'-P energy: -104.946 bonds (distance) P-C4' energy: -91.992 flat angles C4'-P-C4' energy: -108.178 flat angles P-C4'-P energy: -84.180 tors. eta vs tors. theta energy: -146.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1775.412204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.412204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.412204 (E_RNA) where: Base-Base interactions energy: -1259.400 where: short stacking energy: -515.620 Base-Backbone interact. energy: 0.131 local terms energy: -516.142487 where: bonds (distance) C4'-P energy: -86.460 bonds (distance) P-C4' energy: -90.581 flat angles C4'-P-C4' energy: -127.321 flat angles P-C4'-P energy: -71.788 tors. eta vs tors. theta energy: -139.993 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: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2673.229087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.229087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.229087 (E_RNA) where: Base-Base interactions energy: -1959.305 where: short stacking energy: -756.185 Base-Backbone interact. energy: 1.148 local terms energy: -715.071737 where: bonds (distance) C4'-P energy: -119.340 bonds (distance) P-C4' energy: -122.875 flat angles C4'-P-C4' energy: -148.655 flat angles P-C4'-P energy: -100.918 tors. eta vs tors. theta energy: -223.283 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: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2687.218275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.218275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.218275 (E_RNA) where: Base-Base interactions energy: -1953.154 where: short stacking energy: -755.336 Base-Backbone interact. energy: -1.043 local terms energy: -733.021866 where: bonds (distance) C4'-P energy: -122.826 bonds (distance) P-C4' energy: -125.390 flat angles C4'-P-C4' energy: -152.776 flat angles P-C4'-P energy: -102.190 tors. eta vs tors. theta energy: -229.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2605.478540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.478540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.478540 (E_RNA) where: Base-Base interactions energy: -1896.374 where: short stacking energy: -730.709 Base-Backbone interact. energy: -0.295 local terms energy: -708.809882 where: bonds (distance) C4'-P energy: -122.697 bonds (distance) P-C4' energy: -108.277 flat angles C4'-P-C4' energy: -147.831 flat angles P-C4'-P energy: -115.309 tors. eta vs tors. theta energy: -214.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2527.180902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.180902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.180902 (E_RNA) where: Base-Base interactions energy: -1847.850 where: short stacking energy: -706.925 Base-Backbone interact. energy: -1.447 local terms energy: -677.883777 where: bonds (distance) C4'-P energy: -112.364 bonds (distance) P-C4' energy: -104.630 flat angles C4'-P-C4' energy: -150.061 flat angles P-C4'-P energy: -96.888 tors. eta vs tors. theta energy: -213.941 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: 398 Temperature: 1.100000 Total energy: -2528.779675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.779675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.779675 (E_RNA) where: Base-Base interactions energy: -1839.132 where: short stacking energy: -710.310 Base-Backbone interact. energy: -2.254 local terms energy: -687.393737 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -118.467 flat angles C4'-P-C4' energy: -148.293 flat angles P-C4'-P energy: -98.060 tors. eta vs tors. theta energy: -212.970 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: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2415.207386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.207386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.207386 (E_RNA) where: Base-Base interactions energy: -1782.109 where: short stacking energy: -690.879 Base-Backbone interact. energy: -0.580 local terms energy: -632.518850 where: bonds (distance) C4'-P energy: -98.230 bonds (distance) P-C4' energy: -101.670 flat angles C4'-P-C4' energy: -143.112 flat angles P-C4'-P energy: -92.713 tors. eta vs tors. theta energy: -196.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2327.638437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.638437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.638437 (E_RNA) where: Base-Base interactions energy: -1714.628 where: short stacking energy: -648.594 Base-Backbone interact. energy: -0.588 local terms energy: -612.422169 where: bonds (distance) C4'-P energy: -107.999 bonds (distance) P-C4' energy: -100.594 flat angles C4'-P-C4' energy: -130.483 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -194.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2300.406318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.406318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.406318 (E_RNA) where: Base-Base interactions energy: -1690.351 where: short stacking energy: -645.273 Base-Backbone interact. energy: -0.491 local terms energy: -609.563932 where: bonds (distance) C4'-P energy: -107.544 bonds (distance) P-C4' energy: -92.713 flat angles C4'-P-C4' energy: -131.318 flat angles P-C4'-P energy: -79.427 tors. eta vs tors. theta energy: -198.562 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: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1935.368153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.368153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.368153 (E_RNA) where: Base-Base interactions energy: -1372.823 where: short stacking energy: -527.200 Base-Backbone interact. energy: -0.024 local terms energy: -562.520933 where: bonds (distance) C4'-P energy: -103.926 bonds (distance) P-C4' energy: -111.159 flat angles C4'-P-C4' energy: -118.601 flat angles P-C4'-P energy: -79.898 tors. eta vs tors. theta energy: -148.937 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: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1789.076107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.076107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.076107 (E_RNA) where: Base-Base interactions energy: -1280.873 where: short stacking energy: -496.716 Base-Backbone interact. energy: -0.849 local terms energy: -507.354415 where: bonds (distance) C4'-P energy: -90.286 bonds (distance) P-C4' energy: -99.725 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: -140.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2684.996550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.996550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.996550 (E_RNA) where: Base-Base interactions energy: -1954.482 where: short stacking energy: -774.046 Base-Backbone interact. energy: -2.139 local terms energy: -728.375322 where: bonds (distance) C4'-P energy: -118.577 bonds (distance) P-C4' energy: -141.552 flat angles C4'-P-C4' energy: -151.526 flat angles P-C4'-P energy: -90.609 tors. eta vs tors. theta energy: -226.111 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: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2643.699687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.699687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.699687 (E_RNA) where: Base-Base interactions energy: -1943.667 where: short stacking energy: -755.843 Base-Backbone interact. energy: -1.915 local terms energy: -698.116956 where: bonds (distance) C4'-P energy: -111.548 bonds (distance) P-C4' energy: -122.972 flat angles C4'-P-C4' energy: -139.718 flat angles P-C4'-P energy: -98.144 tors. eta vs tors. theta energy: -225.735 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: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2600.232406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.232406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.232406 (E_RNA) where: Base-Base interactions energy: -1924.405 where: short stacking energy: -725.769 Base-Backbone interact. energy: 3.690 local terms energy: -679.517619 where: bonds (distance) C4'-P energy: -113.083 bonds (distance) P-C4' energy: -119.812 flat angles C4'-P-C4' energy: -143.489 flat angles P-C4'-P energy: -107.369 tors. eta vs tors. theta energy: -195.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2540.647042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.647042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.647042 (E_RNA) where: Base-Base interactions energy: -1860.496 where: short stacking energy: -706.413 Base-Backbone interact. energy: -0.276 local terms energy: -679.875621 where: bonds (distance) C4'-P energy: -107.089 bonds (distance) P-C4' energy: -113.436 flat angles C4'-P-C4' energy: -137.042 flat angles P-C4'-P energy: -101.286 tors. eta vs tors. theta energy: -221.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2514.515775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.515775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.515775 (E_RNA) where: Base-Base interactions energy: -1846.219 where: short stacking energy: -725.910 Base-Backbone interact. energy: -0.808 local terms energy: -667.488893 where: bonds (distance) C4'-P energy: -117.672 bonds (distance) P-C4' energy: -112.256 flat angles C4'-P-C4' energy: -133.226 flat angles P-C4'-P energy: -83.036 tors. eta vs tors. theta energy: -221.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2382.923989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.923989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.923989 (E_RNA) where: Base-Base interactions energy: -1730.200 where: short stacking energy: -671.915 Base-Backbone interact. energy: -0.350 local terms energy: -652.373953 where: bonds (distance) C4'-P energy: -112.989 bonds (distance) P-C4' energy: -109.300 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -90.359 tors. eta vs tors. theta energy: -195.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2337.504760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.504760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.504760 (E_RNA) where: Base-Base interactions energy: -1701.433 where: short stacking energy: -662.037 Base-Backbone interact. energy: -2.676 local terms energy: -633.395318 where: bonds (distance) C4'-P energy: -108.157 bonds (distance) P-C4' energy: -89.936 flat angles C4'-P-C4' energy: -131.723 flat angles P-C4'-P energy: -96.219 tors. eta vs tors. theta energy: -207.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2291.518755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.518755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.518755 (E_RNA) where: Base-Base interactions energy: -1693.108 where: short stacking energy: -655.653 Base-Backbone interact. energy: -0.331 local terms energy: -598.078955 where: bonds (distance) C4'-P energy: -91.995 bonds (distance) P-C4' energy: -95.719 flat angles C4'-P-C4' energy: -121.186 flat angles P-C4'-P energy: -93.158 tors. eta vs tors. theta energy: -196.021 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1918.659693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.659693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.659693 (E_RNA) where: Base-Base interactions energy: -1351.163 where: short stacking energy: -535.463 Base-Backbone interact. energy: -0.555 local terms energy: -566.941855 where: bonds (distance) C4'-P energy: -114.377 bonds (distance) P-C4' energy: -104.382 flat angles C4'-P-C4' energy: -124.035 flat angles P-C4'-P energy: -79.736 tors. eta vs tors. theta energy: -144.412 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: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1753.631104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.631104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.631104 (E_RNA) where: Base-Base interactions energy: -1245.733 where: short stacking energy: -496.495 Base-Backbone interact. energy: -0.444 local terms energy: -507.454494 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -112.783 flat angles P-C4'-P energy: -71.357 tors. eta vs tors. theta energy: -139.749 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: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2720.893127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.893127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.893127 (E_RNA) where: Base-Base interactions energy: -1979.480 where: short stacking energy: -779.029 Base-Backbone interact. energy: -2.448 local terms energy: -738.965119 where: bonds (distance) C4'-P energy: -131.939 bonds (distance) P-C4' energy: -123.637 flat angles C4'-P-C4' energy: -152.108 flat angles P-C4'-P energy: -104.339 tors. eta vs tors. theta energy: -226.942 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: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2672.297542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.297542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.297542 (E_RNA) where: Base-Base interactions energy: -1951.923 where: short stacking energy: -761.300 Base-Backbone interact. energy: -1.914 local terms energy: -718.460269 where: bonds (distance) C4'-P energy: -111.237 bonds (distance) P-C4' energy: -119.656 flat angles C4'-P-C4' energy: -149.375 flat angles P-C4'-P energy: -107.999 tors. eta vs tors. theta energy: -230.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2590.864650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.864650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.864650 (E_RNA) where: Base-Base interactions energy: -1882.667 where: short stacking energy: -722.791 Base-Backbone interact. energy: 0.173 local terms energy: -708.370853 where: bonds (distance) C4'-P energy: -119.966 bonds (distance) P-C4' energy: -111.886 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -112.581 tors. eta vs tors. theta energy: -218.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2552.304681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.304681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.304681 (E_RNA) where: Base-Base interactions energy: -1841.617 where: short stacking energy: -709.388 Base-Backbone interact. energy: -1.996 local terms energy: -708.691122 where: bonds (distance) C4'-P energy: -125.438 bonds (distance) P-C4' energy: -128.130 flat angles C4'-P-C4' energy: -139.015 flat angles P-C4'-P energy: -92.432 tors. eta vs tors. theta energy: -223.675 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: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2514.438781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.438781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.438781 (E_RNA) where: Base-Base interactions energy: -1849.895 where: short stacking energy: -720.820 Base-Backbone interact. energy: -1.142 local terms energy: -663.400824 where: bonds (distance) C4'-P energy: -115.339 bonds (distance) P-C4' energy: -102.478 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -93.080 tors. eta vs tors. theta energy: -210.855 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: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2374.201980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.201980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.201980 (E_RNA) where: Base-Base interactions energy: -1735.324 where: short stacking energy: -675.980 Base-Backbone interact. energy: -0.604 local terms energy: -638.273399 where: bonds (distance) C4'-P energy: -98.708 bonds (distance) P-C4' energy: -111.689 flat angles C4'-P-C4' energy: -140.204 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -201.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2319.933304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.933304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.933304 (E_RNA) where: Base-Base interactions energy: -1728.252 where: short stacking energy: -678.979 Base-Backbone interact. energy: -1.073 local terms energy: -590.608528 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -101.920 flat angles C4'-P-C4' energy: -123.847 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -202.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2284.797621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.797621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.797621 (E_RNA) where: Base-Base interactions energy: -1673.593 where: short stacking energy: -645.295 Base-Backbone interact. energy: -0.222 local terms energy: -610.982788 where: bonds (distance) C4'-P energy: -99.668 bonds (distance) P-C4' energy: -106.477 flat angles C4'-P-C4' energy: -125.070 flat angles P-C4'-P energy: -85.270 tors. eta vs tors. theta energy: -194.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1973.681391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.681391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.681391 (E_RNA) where: Base-Base interactions energy: -1400.443 where: short stacking energy: -549.578 Base-Backbone interact. energy: -1.069 local terms energy: -572.169277 where: bonds (distance) C4'-P energy: -112.586 bonds (distance) P-C4' energy: -104.162 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -69.435 tors. eta vs tors. theta energy: -157.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1747.766038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.766038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.766038 (E_RNA) where: Base-Base interactions energy: -1229.963 where: short stacking energy: -483.825 Base-Backbone interact. energy: -1.920 local terms energy: -515.883319 where: bonds (distance) C4'-P energy: -97.437 bonds (distance) P-C4' energy: -104.676 flat angles C4'-P-C4' energy: -111.945 flat angles P-C4'-P energy: -70.532 tors. eta vs tors. theta energy: -131.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2702.742227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.742227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.742227 (E_RNA) where: Base-Base interactions energy: -1963.504 where: short stacking energy: -766.162 Base-Backbone interact. energy: -1.197 local terms energy: -738.041246 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -134.857 flat angles C4'-P-C4' energy: -151.085 flat angles P-C4'-P energy: -96.616 tors. eta vs tors. theta energy: -224.741 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: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2654.198130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.198130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.198130 (E_RNA) where: Base-Base interactions energy: -1948.402 where: short stacking energy: -757.317 Base-Backbone interact. energy: -1.159 local terms energy: -704.637377 where: bonds (distance) C4'-P energy: -107.143 bonds (distance) P-C4' energy: -133.781 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -92.513 tors. eta vs tors. theta energy: -225.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2565.352007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.352007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.352007 (E_RNA) where: Base-Base interactions energy: -1864.229 where: short stacking energy: -713.716 Base-Backbone interact. energy: -1.160 local terms energy: -699.963937 where: bonds (distance) C4'-P energy: -126.814 bonds (distance) P-C4' energy: -118.283 flat angles C4'-P-C4' energy: -139.047 flat angles P-C4'-P energy: -102.779 tors. eta vs tors. theta energy: -213.040 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: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2563.766655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.766655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.766655 (E_RNA) where: Base-Base interactions energy: -1856.139 where: short stacking energy: -715.111 Base-Backbone interact. energy: -2.429 local terms energy: -705.198545 where: bonds (distance) C4'-P energy: -120.606 bonds (distance) P-C4' energy: -120.813 flat angles C4'-P-C4' energy: -149.829 flat angles P-C4'-P energy: -96.020 tors. eta vs tors. theta energy: -217.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2477.241678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.241678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.241678 (E_RNA) where: Base-Base interactions energy: -1820.013 where: short stacking energy: -712.615 Base-Backbone interact. energy: -1.976 local terms energy: -655.252631 where: bonds (distance) C4'-P energy: -102.104 bonds (distance) P-C4' energy: -103.884 flat angles C4'-P-C4' energy: -141.212 flat angles P-C4'-P energy: -89.415 tors. eta vs tors. theta energy: -218.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2379.239844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.239844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.239844 (E_RNA) where: Base-Base interactions energy: -1721.601 where: short stacking energy: -672.948 Base-Backbone interact. energy: -1.405 local terms energy: -656.234086 where: bonds (distance) C4'-P energy: -96.734 bonds (distance) P-C4' energy: -119.305 flat angles C4'-P-C4' energy: -142.557 flat angles P-C4'-P energy: -91.834 tors. eta vs tors. theta energy: -205.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2375.292904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.292904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.292904 (E_RNA) where: Base-Base interactions energy: -1727.203 where: short stacking energy: -676.443 Base-Backbone interact. energy: -1.157 local terms energy: -646.933497 where: bonds (distance) C4'-P energy: -106.895 bonds (distance) P-C4' energy: -106.017 flat angles C4'-P-C4' energy: -134.929 flat angles P-C4'-P energy: -92.939 tors. eta vs tors. theta energy: -206.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2292.930366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.930366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.930366 (E_RNA) where: Base-Base interactions energy: -1681.242 where: short stacking energy: -651.852 Base-Backbone interact. energy: -2.441 local terms energy: -609.246780 where: bonds (distance) C4'-P energy: -95.495 bonds (distance) P-C4' energy: -98.066 flat angles C4'-P-C4' energy: -125.489 flat angles P-C4'-P energy: -93.774 tors. eta vs tors. theta energy: -196.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -2033.706106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.706106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.706106 (E_RNA) where: Base-Base interactions energy: -1456.115 where: short stacking energy: -583.940 Base-Backbone interact. energy: -1.348 local terms energy: -576.242942 where: bonds (distance) C4'-P energy: -91.325 bonds (distance) P-C4' energy: -105.958 flat angles C4'-P-C4' energy: -125.299 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -169.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1776.640748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.640748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.640748 (E_RNA) where: Base-Base interactions energy: -1256.225 where: short stacking energy: -504.815 Base-Backbone interact. energy: 3.001 local terms energy: -523.417276 where: bonds (distance) C4'-P energy: -91.771 bonds (distance) P-C4' energy: -107.566 flat angles C4'-P-C4' energy: -102.621 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -141.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2690.498270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.498270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.498270 (E_RNA) where: Base-Base interactions energy: -1956.686 where: short stacking energy: -756.010 Base-Backbone interact. energy: -1.422 local terms energy: -732.390188 where: bonds (distance) C4'-P energy: -128.256 bonds (distance) P-C4' energy: -126.880 flat angles C4'-P-C4' energy: -153.882 flat angles P-C4'-P energy: -93.899 tors. eta vs tors. theta energy: -229.475 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: 402 Temperature: 0.950000 Total energy: -2656.177502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.177502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.177502 (E_RNA) where: Base-Base interactions energy: -1934.044 where: short stacking energy: -747.025 Base-Backbone interact. energy: -0.940 local terms energy: -721.193491 where: bonds (distance) C4'-P energy: -122.789 bonds (distance) P-C4' energy: -122.654 flat angles C4'-P-C4' energy: -145.966 flat angles P-C4'-P energy: -109.102 tors. eta vs tors. theta energy: -220.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2594.211707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.211707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.211707 (E_RNA) where: Base-Base interactions energy: -1876.589 where: short stacking energy: -722.877 Base-Backbone interact. energy: 0.916 local terms energy: -718.539348 where: bonds (distance) C4'-P energy: -122.564 bonds (distance) P-C4' energy: -122.984 flat angles C4'-P-C4' energy: -147.980 flat angles P-C4'-P energy: -109.719 tors. eta vs tors. theta energy: -215.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2521.388865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.388865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.388865 (E_RNA) where: Base-Base interactions energy: -1843.717 where: short stacking energy: -709.465 Base-Backbone interact. energy: -2.368 local terms energy: -675.304192 where: bonds (distance) C4'-P energy: -102.647 bonds (distance) P-C4' energy: -117.857 flat angles C4'-P-C4' energy: -142.642 flat angles P-C4'-P energy: -107.456 tors. eta vs tors. theta energy: -204.702 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: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2490.007908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.007908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.007908 (E_RNA) where: Base-Base interactions energy: -1825.552 where: short stacking energy: -702.142 Base-Backbone interact. energy: -1.585 local terms energy: -662.870910 where: bonds (distance) C4'-P energy: -117.924 bonds (distance) P-C4' energy: -107.271 flat angles C4'-P-C4' energy: -142.657 flat angles P-C4'-P energy: -87.151 tors. eta vs tors. theta energy: -207.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2386.709132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.709132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.709132 (E_RNA) where: Base-Base interactions energy: -1741.677 where: short stacking energy: -674.171 Base-Backbone interact. energy: 0.890 local terms energy: -645.922118 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -133.564 flat angles P-C4'-P energy: -91.286 tors. eta vs tors. theta energy: -201.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2367.470107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.470107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.470107 (E_RNA) where: Base-Base interactions energy: -1709.193 where: short stacking energy: -663.524 Base-Backbone interact. energy: -1.148 local terms energy: -657.129450 where: bonds (distance) C4'-P energy: -96.957 bonds (distance) P-C4' energy: -121.440 flat angles C4'-P-C4' energy: -140.009 flat angles P-C4'-P energy: -92.699 tors. eta vs tors. theta energy: -206.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2268.092048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.092048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.092048 (E_RNA) where: Base-Base interactions energy: -1684.355 where: short stacking energy: -635.165 Base-Backbone interact. energy: -1.768 local terms energy: -581.969254 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -94.318 flat angles C4'-P-C4' energy: -120.661 flat angles P-C4'-P energy: -77.466 tors. eta vs tors. theta energy: -194.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -2017.556138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.556138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.556138 (E_RNA) where: Base-Base interactions energy: -1458.706 where: short stacking energy: -561.851 Base-Backbone interact. energy: 1.830 local terms energy: -560.680488 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -98.941 flat angles C4'-P-C4' energy: -130.136 flat angles P-C4'-P energy: -81.677 tors. eta vs tors. theta energy: -152.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1777.252821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.252821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.252821 (E_RNA) where: Base-Base interactions energy: -1237.769 where: short stacking energy: -500.325 Base-Backbone interact. energy: 2.386 local terms energy: -541.869356 where: bonds (distance) C4'-P energy: -105.839 bonds (distance) P-C4' energy: -98.191 flat angles C4'-P-C4' energy: -119.098 flat angles P-C4'-P energy: -87.758 tors. eta vs tors. theta energy: -130.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2711.189986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.189986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.189986 (E_RNA) where: Base-Base interactions energy: -1983.631 where: short stacking energy: -775.926 Base-Backbone interact. energy: -1.247 local terms energy: -726.311884 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -124.125 flat angles C4'-P-C4' energy: -149.980 flat angles P-C4'-P energy: -91.578 tors. eta vs tors. theta energy: -231.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2667.748611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.748611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.748611 (E_RNA) where: Base-Base interactions energy: -1941.829 where: short stacking energy: -763.928 Base-Backbone interact. energy: -0.874 local terms energy: -725.044708 where: bonds (distance) C4'-P energy: -126.732 bonds (distance) P-C4' energy: -129.279 flat angles C4'-P-C4' energy: -140.690 flat angles P-C4'-P energy: -98.939 tors. eta vs tors. theta energy: -229.405 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: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2581.704640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.704640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.704640 (E_RNA) where: Base-Base interactions energy: -1897.847 where: short stacking energy: -740.357 Base-Backbone interact. energy: 2.932 local terms energy: -686.790286 where: bonds (distance) C4'-P energy: -109.767 bonds (distance) P-C4' energy: -103.593 flat angles C4'-P-C4' energy: -154.644 flat angles P-C4'-P energy: -98.422 tors. eta vs tors. theta energy: -220.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2550.680004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.680004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.680004 (E_RNA) where: Base-Base interactions energy: -1871.521 where: short stacking energy: -717.896 Base-Backbone interact. energy: -0.148 local terms energy: -679.011072 where: bonds (distance) C4'-P energy: -102.260 bonds (distance) P-C4' energy: -116.438 flat angles C4'-P-C4' energy: -137.857 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -212.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2491.572239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.572239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.572239 (E_RNA) where: Base-Base interactions energy: -1812.397 where: short stacking energy: -702.176 Base-Backbone interact. energy: -0.506 local terms energy: -678.668375 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -122.258 flat angles C4'-P-C4' energy: -141.879 flat angles P-C4'-P energy: -101.955 tors. eta vs tors. theta energy: -205.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2391.609874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.609874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.609874 (E_RNA) where: Base-Base interactions energy: -1752.117 where: short stacking energy: -677.191 Base-Backbone interact. energy: -0.720 local terms energy: -638.772638 where: bonds (distance) C4'-P energy: -98.016 bonds (distance) P-C4' energy: -103.895 flat angles C4'-P-C4' energy: -133.456 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: -200.358 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: 403 Temperature: 1.200000 Total energy: -2348.926767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.926767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.926767 (E_RNA) where: Base-Base interactions energy: -1695.369 where: short stacking energy: -669.115 Base-Backbone interact. energy: 0.543 local terms energy: -654.100649 where: bonds (distance) C4'-P energy: -111.290 bonds (distance) P-C4' energy: -116.492 flat angles C4'-P-C4' energy: -137.008 flat angles P-C4'-P energy: -90.804 tors. eta vs tors. theta energy: -198.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2286.760759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.760759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.760759 (E_RNA) where: Base-Base interactions energy: -1664.241 where: short stacking energy: -631.045 Base-Backbone interact. energy: -2.052 local terms energy: -620.468408 where: bonds (distance) C4'-P energy: -96.969 bonds (distance) P-C4' energy: -104.683 flat angles C4'-P-C4' energy: -131.016 flat angles P-C4'-P energy: -96.849 tors. eta vs tors. theta energy: -190.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -2041.635471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.635471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.635471 (E_RNA) where: Base-Base interactions energy: -1465.842 where: short stacking energy: -568.622 Base-Backbone interact. energy: -1.522 local terms energy: -574.271125 where: bonds (distance) C4'-P energy: -107.377 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -120.878 flat angles P-C4'-P energy: -78.518 tors. eta vs tors. theta energy: -166.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1792.661254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.661254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.661254 (E_RNA) where: Base-Base interactions energy: -1266.066 where: short stacking energy: -521.934 Base-Backbone interact. energy: -1.723 local terms energy: -524.872216 where: bonds (distance) C4'-P energy: -70.868 bonds (distance) P-C4' energy: -117.613 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -151.331 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: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2696.784918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.784918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.784918 (E_RNA) where: Base-Base interactions energy: -1974.296 where: short stacking energy: -770.323 Base-Backbone interact. energy: -1.837 local terms energy: -720.651128 where: bonds (distance) C4'-P energy: -115.150 bonds (distance) P-C4' energy: -117.983 flat angles C4'-P-C4' energy: -150.623 flat angles P-C4'-P energy: -110.284 tors. eta vs tors. theta energy: -226.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2652.586216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.586216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.586216 (E_RNA) where: Base-Base interactions energy: -1942.585 where: short stacking energy: -750.480 Base-Backbone interact. energy: -1.040 local terms energy: -708.961214 where: bonds (distance) C4'-P energy: -112.632 bonds (distance) P-C4' energy: -119.744 flat angles C4'-P-C4' energy: -144.438 flat angles P-C4'-P energy: -107.241 tors. eta vs tors. theta energy: -224.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2593.349929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.349929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.349929 (E_RNA) where: Base-Base interactions energy: -1909.237 where: short stacking energy: -729.378 Base-Backbone interact. energy: 1.023 local terms energy: -685.135856 where: bonds (distance) C4'-P energy: -119.913 bonds (distance) P-C4' energy: -106.706 flat angles C4'-P-C4' energy: -147.278 flat angles P-C4'-P energy: -97.247 tors. eta vs tors. theta energy: -213.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2551.618237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.618237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.618237 (E_RNA) where: Base-Base interactions energy: -1863.485 where: short stacking energy: -712.225 Base-Backbone interact. energy: -0.615 local terms energy: -687.518414 where: bonds (distance) C4'-P energy: -123.976 bonds (distance) P-C4' energy: -105.500 flat angles C4'-P-C4' energy: -148.686 flat angles P-C4'-P energy: -101.508 tors. eta vs tors. theta energy: -207.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2503.022523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.022523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.022523 (E_RNA) where: Base-Base interactions energy: -1820.183 where: short stacking energy: -694.882 Base-Backbone interact. energy: -2.264 local terms energy: -680.575978 where: bonds (distance) C4'-P energy: -103.055 bonds (distance) P-C4' energy: -123.661 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -101.534 tors. eta vs tors. theta energy: -208.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2344.739157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.739157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.739157 (E_RNA) where: Base-Base interactions energy: -1706.501 where: short stacking energy: -674.285 Base-Backbone interact. energy: -1.204 local terms energy: -637.034460 where: bonds (distance) C4'-P energy: -109.729 bonds (distance) P-C4' energy: -107.633 flat angles C4'-P-C4' energy: -127.084 flat angles P-C4'-P energy: -88.232 tors. eta vs tors. theta energy: -204.358 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: 404 Temperature: 1.200000 Total energy: -2336.253998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.253998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.253998 (E_RNA) where: Base-Base interactions energy: -1706.251 where: short stacking energy: -667.133 Base-Backbone interact. energy: -1.247 local terms energy: -628.756493 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -98.030 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -88.264 tors. eta vs tors. theta energy: -197.005 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: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2245.456310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.456310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.456310 (E_RNA) where: Base-Base interactions energy: -1648.224 where: short stacking energy: -642.213 Base-Backbone interact. energy: -0.400 local terms energy: -596.832365 where: bonds (distance) C4'-P energy: -101.254 bonds (distance) P-C4' energy: -95.777 flat angles C4'-P-C4' energy: -132.611 flat angles P-C4'-P energy: -83.458 tors. eta vs tors. theta energy: -183.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1977.225605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.225605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.225605 (E_RNA) where: Base-Base interactions energy: -1429.847 where: short stacking energy: -551.120 Base-Backbone interact. energy: -0.850 local terms energy: -546.528425 where: bonds (distance) C4'-P energy: -102.642 bonds (distance) P-C4' energy: -95.957 flat angles C4'-P-C4' energy: -124.629 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -147.504 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: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1727.748171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.748171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.748171 (E_RNA) where: Base-Base interactions energy: -1192.331 where: short stacking energy: -474.032 Base-Backbone interact. energy: -1.503 local terms energy: -533.913493 where: bonds (distance) C4'-P energy: -102.192 bonds (distance) P-C4' energy: -104.401 flat angles C4'-P-C4' energy: -125.576 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -133.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2706.516832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.516832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.516832 (E_RNA) where: Base-Base interactions energy: -1972.610 where: short stacking energy: -760.383 Base-Backbone interact. energy: -1.705 local terms energy: -732.202292 where: bonds (distance) C4'-P energy: -128.020 bonds (distance) P-C4' energy: -120.749 flat angles C4'-P-C4' energy: -150.891 flat angles P-C4'-P energy: -104.794 tors. eta vs tors. theta energy: -227.749 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: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2660.818684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.818684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.818684 (E_RNA) where: Base-Base interactions energy: -1930.480 where: short stacking energy: -741.609 Base-Backbone interact. energy: 1.331 local terms energy: -731.669095 where: bonds (distance) C4'-P energy: -123.882 bonds (distance) P-C4' energy: -133.256 flat angles C4'-P-C4' energy: -145.947 flat angles P-C4'-P energy: -105.318 tors. eta vs tors. theta energy: -223.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2582.860570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.860570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.860570 (E_RNA) where: Base-Base interactions energy: -1884.547 where: short stacking energy: -725.908 Base-Backbone interact. energy: -0.867 local terms energy: -697.447216 where: bonds (distance) C4'-P energy: -120.882 bonds (distance) P-C4' energy: -109.102 flat angles C4'-P-C4' energy: -140.549 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -221.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2536.264401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.264401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.264401 (E_RNA) where: Base-Base interactions energy: -1871.338 where: short stacking energy: -716.264 Base-Backbone interact. energy: -2.184 local terms energy: -662.742299 where: bonds (distance) C4'-P energy: -97.324 bonds (distance) P-C4' energy: -116.440 flat angles C4'-P-C4' energy: -148.689 flat angles P-C4'-P energy: -96.100 tors. eta vs tors. theta energy: -204.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2497.280803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.280803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.280803 (E_RNA) where: Base-Base interactions energy: -1810.474 where: short stacking energy: -730.293 Base-Backbone interact. energy: -1.497 local terms energy: -685.310268 where: bonds (distance) C4'-P energy: -108.114 bonds (distance) P-C4' energy: -105.177 flat angles C4'-P-C4' energy: -143.730 flat angles P-C4'-P energy: -109.439 tors. eta vs tors. theta energy: -218.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2399.342211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.342211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.342211 (E_RNA) where: Base-Base interactions energy: -1727.404 where: short stacking energy: -671.582 Base-Backbone interact. energy: -0.422 local terms energy: -671.516406 where: bonds (distance) C4'-P energy: -112.765 bonds (distance) P-C4' energy: -128.509 flat angles C4'-P-C4' energy: -133.258 flat angles P-C4'-P energy: -86.904 tors. eta vs tors. theta energy: -210.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2325.623247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.623247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.623247 (E_RNA) where: Base-Base interactions energy: -1699.579 where: short stacking energy: -658.741 Base-Backbone interact. energy: 1.879 local terms energy: -627.923022 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -99.530 flat angles C4'-P-C4' energy: -145.010 flat angles P-C4'-P energy: -84.533 tors. eta vs tors. theta energy: -191.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2291.372309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.372309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.372309 (E_RNA) where: Base-Base interactions energy: -1688.046 where: short stacking energy: -650.500 Base-Backbone interact. energy: -0.951 local terms energy: -602.375385 where: bonds (distance) C4'-P energy: -95.743 bonds (distance) P-C4' energy: -94.591 flat angles C4'-P-C4' energy: -132.550 flat angles P-C4'-P energy: -88.920 tors. eta vs tors. theta energy: -190.571 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: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1984.132270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.132270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.132270 (E_RNA) where: Base-Base interactions energy: -1441.354 where: short stacking energy: -553.986 Base-Backbone interact. energy: 5.974 local terms energy: -548.752885 where: bonds (distance) C4'-P energy: -91.310 bonds (distance) P-C4' energy: -121.712 flat angles C4'-P-C4' energy: -107.686 flat angles P-C4'-P energy: -71.457 tors. eta vs tors. theta energy: -156.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1789.906105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.906105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.906105 (E_RNA) where: Base-Base interactions energy: -1268.379 where: short stacking energy: -522.622 Base-Backbone interact. energy: -0.361 local terms energy: -521.166346 where: bonds (distance) C4'-P energy: -93.780 bonds (distance) P-C4' energy: -102.066 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -70.860 tors. eta vs tors. theta energy: -148.049 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: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2680.905218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.905218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.905218 (E_RNA) where: Base-Base interactions energy: -1942.029 where: short stacking energy: -758.152 Base-Backbone interact. energy: -2.824 local terms energy: -736.052409 where: bonds (distance) C4'-P energy: -125.533 bonds (distance) P-C4' energy: -131.505 flat angles C4'-P-C4' energy: -151.668 flat angles P-C4'-P energy: -102.868 tors. eta vs tors. theta energy: -224.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2660.815558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.815558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.815558 (E_RNA) where: Base-Base interactions energy: -1939.321 where: short stacking energy: -742.924 Base-Backbone interact. energy: -0.830 local terms energy: -720.665010 where: bonds (distance) C4'-P energy: -130.368 bonds (distance) P-C4' energy: -114.570 flat angles C4'-P-C4' energy: -141.709 flat angles P-C4'-P energy: -110.422 tors. eta vs tors. theta energy: -223.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2587.309479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.309479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.309479 (E_RNA) where: Base-Base interactions energy: -1900.415 where: short stacking energy: -737.571 Base-Backbone interact. energy: -0.690 local terms energy: -686.204436 where: bonds (distance) C4'-P energy: -97.955 bonds (distance) P-C4' energy: -126.149 flat angles C4'-P-C4' energy: -143.217 flat angles P-C4'-P energy: -101.979 tors. eta vs tors. theta energy: -216.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2559.431587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.431587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.431587 (E_RNA) where: Base-Base interactions energy: -1884.278 where: short stacking energy: -727.380 Base-Backbone interact. energy: 6.125 local terms energy: -681.278977 where: bonds (distance) C4'-P energy: -107.801 bonds (distance) P-C4' energy: -124.509 flat angles C4'-P-C4' energy: -142.965 flat angles P-C4'-P energy: -99.072 tors. eta vs tors. theta energy: -206.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2461.318122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.318122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.318122 (E_RNA) where: Base-Base interactions energy: -1783.961 where: short stacking energy: -682.104 Base-Backbone interact. energy: -0.945 local terms energy: -676.412102 where: bonds (distance) C4'-P energy: -106.588 bonds (distance) P-C4' energy: -113.689 flat angles C4'-P-C4' energy: -149.835 flat angles P-C4'-P energy: -95.853 tors. eta vs tors. theta energy: -210.446 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: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2418.384661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.384661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.384661 (E_RNA) where: Base-Base interactions energy: -1787.348 where: short stacking energy: -683.836 Base-Backbone interact. energy: -0.548 local terms energy: -630.489227 where: bonds (distance) C4'-P energy: -103.372 bonds (distance) P-C4' energy: -102.470 flat angles C4'-P-C4' energy: -144.548 flat angles P-C4'-P energy: -87.147 tors. eta vs tors. theta energy: -192.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2322.080540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.080540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.080540 (E_RNA) where: Base-Base interactions energy: -1704.003 where: short stacking energy: -646.474 Base-Backbone interact. energy: 1.267 local terms energy: -619.344005 where: bonds (distance) C4'-P energy: -96.197 bonds (distance) P-C4' energy: -108.653 flat angles C4'-P-C4' energy: -133.659 flat angles P-C4'-P energy: -90.451 tors. eta vs tors. theta energy: -190.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2267.304168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.304168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.304168 (E_RNA) where: Base-Base interactions energy: -1656.625 where: short stacking energy: -628.758 Base-Backbone interact. energy: -0.939 local terms energy: -609.740884 where: bonds (distance) C4'-P energy: -99.446 bonds (distance) P-C4' energy: -91.802 flat angles C4'-P-C4' energy: -134.779 flat angles P-C4'-P energy: -99.046 tors. eta vs tors. theta energy: -184.669 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: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -2006.100312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.100312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.100312 (E_RNA) where: Base-Base interactions energy: -1479.305 where: short stacking energy: -575.460 Base-Backbone interact. energy: 1.275 local terms energy: -528.070714 where: bonds (distance) C4'-P energy: -102.805 bonds (distance) P-C4' energy: -103.771 flat angles C4'-P-C4' energy: -100.249 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -154.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1754.918844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.918844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.918844 (E_RNA) where: Base-Base interactions energy: -1258.752 where: short stacking energy: -498.044 Base-Backbone interact. energy: -1.984 local terms energy: -494.182193 where: bonds (distance) C4'-P energy: -100.383 bonds (distance) P-C4' energy: -103.948 flat angles C4'-P-C4' energy: -93.652 flat angles P-C4'-P energy: -73.523 tors. eta vs tors. theta energy: -122.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2691.636576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.636576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.636576 (E_RNA) where: Base-Base interactions energy: -1968.844 where: short stacking energy: -758.308 Base-Backbone interact. energy: 8.171 local terms energy: -730.963934 where: bonds (distance) C4'-P energy: -121.852 bonds (distance) P-C4' energy: -117.488 flat angles C4'-P-C4' energy: -153.082 flat angles P-C4'-P energy: -110.159 tors. eta vs tors. theta energy: -228.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2657.422468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.422468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.422468 (E_RNA) where: Base-Base interactions energy: -1909.645 where: short stacking energy: -740.023 Base-Backbone interact. energy: -2.214 local terms energy: -745.562727 where: bonds (distance) C4'-P energy: -125.969 bonds (distance) P-C4' energy: -120.873 flat angles C4'-P-C4' energy: -155.424 flat angles P-C4'-P energy: -116.553 tors. eta vs tors. theta energy: -226.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2607.376222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.376222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.376222 (E_RNA) where: Base-Base interactions energy: -1886.429 where: short stacking energy: -725.146 Base-Backbone interact. energy: 0.255 local terms energy: -721.202583 where: bonds (distance) C4'-P energy: -121.316 bonds (distance) P-C4' energy: -125.368 flat angles C4'-P-C4' energy: -147.745 flat angles P-C4'-P energy: -102.549 tors. eta vs tors. theta energy: -224.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2516.838004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.838004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.838004 (E_RNA) where: Base-Base interactions energy: -1866.505 where: short stacking energy: -710.805 Base-Backbone interact. energy: -0.873 local terms energy: -649.460057 where: bonds (distance) C4'-P energy: -108.430 bonds (distance) P-C4' energy: -121.130 flat angles C4'-P-C4' energy: -127.574 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -205.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2471.712663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.712663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.712663 (E_RNA) where: Base-Base interactions energy: -1829.235 where: short stacking energy: -699.913 Base-Backbone interact. energy: -0.444 local terms energy: -642.033085 where: bonds (distance) C4'-P energy: -96.538 bonds (distance) P-C4' energy: -109.918 flat angles C4'-P-C4' energy: -132.116 flat angles P-C4'-P energy: -101.258 tors. eta vs tors. theta energy: -202.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2386.699151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.699151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.699151 (E_RNA) where: Base-Base interactions energy: -1745.314 where: short stacking energy: -680.880 Base-Backbone interact. energy: 3.544 local terms energy: -644.929713 where: bonds (distance) C4'-P energy: -112.165 bonds (distance) P-C4' energy: -95.915 flat angles C4'-P-C4' energy: -148.709 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -209.772 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: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2333.690709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.690709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.690709 (E_RNA) where: Base-Base interactions energy: -1700.853 where: short stacking energy: -658.932 Base-Backbone interact. energy: -1.020 local terms energy: -631.817480 where: bonds (distance) C4'-P energy: -86.066 bonds (distance) P-C4' energy: -113.716 flat angles C4'-P-C4' energy: -137.889 flat angles P-C4'-P energy: -98.104 tors. eta vs tors. theta energy: -196.042 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: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2296.638944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.638944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.638944 (E_RNA) where: Base-Base interactions energy: -1685.614 where: short stacking energy: -651.980 Base-Backbone interact. energy: -0.619 local terms energy: -610.406293 where: bonds (distance) C4'-P energy: -96.002 bonds (distance) P-C4' energy: -110.110 flat angles C4'-P-C4' energy: -129.282 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -190.178 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: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1993.784979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.784979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.784979 (E_RNA) where: Base-Base interactions energy: -1449.472 where: short stacking energy: -549.117 Base-Backbone interact. energy: -0.895 local terms energy: -543.418216 where: bonds (distance) C4'-P energy: -90.679 bonds (distance) P-C4' energy: -102.051 flat angles C4'-P-C4' energy: -128.135 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -155.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1797.954502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.954502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.954502 (E_RNA) where: Base-Base interactions energy: -1303.024 where: short stacking energy: -535.213 Base-Backbone interact. energy: 0.156 local terms energy: -495.086242 where: bonds (distance) C4'-P energy: -78.409 bonds (distance) P-C4' energy: -95.551 flat angles C4'-P-C4' energy: -116.631 flat angles P-C4'-P energy: -59.690 tors. eta vs tors. theta energy: -144.805 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: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2690.268494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.268494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.268494 (E_RNA) where: Base-Base interactions energy: -1969.652 where: short stacking energy: -778.816 Base-Backbone interact. energy: 1.590 local terms energy: -722.206954 where: bonds (distance) C4'-P energy: -119.097 bonds (distance) P-C4' energy: -114.052 flat angles C4'-P-C4' energy: -154.265 flat angles P-C4'-P energy: -101.025 tors. eta vs tors. theta energy: -233.768 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: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2686.350195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.350195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.350195 (E_RNA) where: Base-Base interactions energy: -1961.681 where: short stacking energy: -751.731 Base-Backbone interact. energy: -1.980 local terms energy: -722.689318 where: bonds (distance) C4'-P energy: -115.786 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -156.010 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -231.810 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: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2595.327490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.327490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.327490 (E_RNA) where: Base-Base interactions energy: -1906.400 where: short stacking energy: -721.941 Base-Backbone interact. energy: 4.020 local terms energy: -692.947163 where: bonds (distance) C4'-P energy: -110.231 bonds (distance) P-C4' energy: -124.484 flat angles C4'-P-C4' energy: -148.665 flat angles P-C4'-P energy: -95.869 tors. eta vs tors. theta energy: -213.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2563.533684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.533684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.533684 (E_RNA) where: Base-Base interactions energy: -1882.455 where: short stacking energy: -734.812 Base-Backbone interact. energy: -2.204 local terms energy: -678.874029 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -105.531 flat angles C4'-P-C4' energy: -137.631 flat angles P-C4'-P energy: -106.994 tors. eta vs tors. theta energy: -208.142 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: 408 Temperature: 1.100000 Total energy: -2484.738748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.738748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.738748 (E_RNA) where: Base-Base interactions energy: -1805.716 where: short stacking energy: -695.617 Base-Backbone interact. energy: -1.192 local terms energy: -677.830905 where: bonds (distance) C4'-P energy: -114.667 bonds (distance) P-C4' energy: -116.222 flat angles C4'-P-C4' energy: -134.873 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -211.550 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: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2393.345010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.345010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.345010 (E_RNA) where: Base-Base interactions energy: -1730.854 where: short stacking energy: -661.732 Base-Backbone interact. energy: 1.678 local terms energy: -664.169535 where: bonds (distance) C4'-P energy: -113.467 bonds (distance) P-C4' energy: -116.842 flat angles C4'-P-C4' energy: -143.388 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -207.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2355.373776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.373776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.373776 (E_RNA) where: Base-Base interactions energy: -1711.758 where: short stacking energy: -661.869 Base-Backbone interact. energy: -2.726 local terms energy: -640.888911 where: bonds (distance) C4'-P energy: -104.257 bonds (distance) P-C4' energy: -115.076 flat angles C4'-P-C4' energy: -125.824 flat angles P-C4'-P energy: -95.212 tors. eta vs tors. theta energy: -200.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2281.674618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.674618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.674618 (E_RNA) where: Base-Base interactions energy: -1668.818 where: short stacking energy: -638.735 Base-Backbone interact. energy: -1.801 local terms energy: -611.056119 where: bonds (distance) C4'-P energy: -108.667 bonds (distance) P-C4' energy: -99.200 flat angles C4'-P-C4' energy: -117.928 flat angles P-C4'-P energy: -96.350 tors. eta vs tors. theta energy: -188.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1997.557194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.557194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.557194 (E_RNA) where: Base-Base interactions energy: -1435.824 where: short stacking energy: -550.194 Base-Backbone interact. energy: -3.074 local terms energy: -558.659277 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -96.581 flat angles C4'-P-C4' energy: -130.414 flat angles P-C4'-P energy: -63.635 tors. eta vs tors. theta energy: -155.101 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: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1795.826894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.826894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.826894 (E_RNA) where: Base-Base interactions energy: -1277.896 where: short stacking energy: -480.918 Base-Backbone interact. energy: 2.722 local terms energy: -520.652722 where: bonds (distance) C4'-P energy: -95.752 bonds (distance) P-C4' energy: -108.990 flat angles C4'-P-C4' energy: -116.074 flat angles P-C4'-P energy: -67.740 tors. eta vs tors. theta energy: -132.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2675.231926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.231926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.231926 (E_RNA) where: Base-Base interactions energy: -1927.532 where: short stacking energy: -752.756 Base-Backbone interact. energy: -1.896 local terms energy: -745.803440 where: bonds (distance) C4'-P energy: -127.517 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -154.195 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -229.330 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: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2669.839452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.839452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.839452 (E_RNA) where: Base-Base interactions energy: -1949.943 where: short stacking energy: -757.490 Base-Backbone interact. energy: -1.655 local terms energy: -718.241246 where: bonds (distance) C4'-P energy: -117.129 bonds (distance) P-C4' energy: -119.838 flat angles C4'-P-C4' energy: -149.388 flat angles P-C4'-P energy: -100.495 tors. eta vs tors. theta energy: -231.391 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: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2609.285310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.285310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.285310 (E_RNA) where: Base-Base interactions energy: -1898.846 where: short stacking energy: -743.655 Base-Backbone interact. energy: -0.769 local terms energy: -709.670432 where: bonds (distance) C4'-P energy: -121.790 bonds (distance) P-C4' energy: -111.097 flat angles C4'-P-C4' energy: -145.664 flat angles P-C4'-P energy: -104.141 tors. eta vs tors. theta energy: -226.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2530.482215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.482215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.482215 (E_RNA) where: Base-Base interactions energy: -1835.865 where: short stacking energy: -728.307 Base-Backbone interact. energy: -0.633 local terms energy: -693.983647 where: bonds (distance) C4'-P energy: -115.460 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -148.311 flat angles P-C4'-P energy: -99.755 tors. eta vs tors. theta energy: -219.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2481.000824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.000824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.000824 (E_RNA) where: Base-Base interactions energy: -1828.197 where: short stacking energy: -691.072 Base-Backbone interact. energy: -1.044 local terms energy: -651.759871 where: bonds (distance) C4'-P energy: -113.684 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -132.418 flat angles P-C4'-P energy: -86.289 tors. eta vs tors. theta energy: -206.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2403.846495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.846495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.846495 (E_RNA) where: Base-Base interactions energy: -1777.037 where: short stacking energy: -696.333 Base-Backbone interact. energy: -1.107 local terms energy: -625.702383 where: bonds (distance) C4'-P energy: -104.213 bonds (distance) P-C4' energy: -106.595 flat angles C4'-P-C4' energy: -122.483 flat angles P-C4'-P energy: -89.644 tors. eta vs tors. theta energy: -202.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2298.610297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.610297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.610297 (E_RNA) where: Base-Base interactions energy: -1690.673 where: short stacking energy: -654.965 Base-Backbone interact. energy: 1.852 local terms energy: -609.789202 where: bonds (distance) C4'-P energy: -112.784 bonds (distance) P-C4' energy: -94.670 flat angles C4'-P-C4' energy: -123.173 flat angles P-C4'-P energy: -87.648 tors. eta vs tors. theta energy: -191.514 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: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2276.859696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.859696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.859696 (E_RNA) where: Base-Base interactions energy: -1692.128 where: short stacking energy: -629.399 Base-Backbone interact. energy: 0.887 local terms energy: -585.618736 where: bonds (distance) C4'-P energy: -77.810 bonds (distance) P-C4' energy: -98.296 flat angles C4'-P-C4' energy: -128.084 flat angles P-C4'-P energy: -88.084 tors. eta vs tors. theta energy: -193.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1994.809084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.809084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.809084 (E_RNA) where: Base-Base interactions energy: -1407.192 where: short stacking energy: -560.287 Base-Backbone interact. energy: -4.385 local terms energy: -583.232217 where: bonds (distance) C4'-P energy: -104.196 bonds (distance) P-C4' energy: -103.274 flat angles C4'-P-C4' energy: -118.343 flat angles P-C4'-P energy: -94.315 tors. eta vs tors. theta energy: -163.104 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: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1762.766469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.766469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.766469 (E_RNA) where: Base-Base interactions energy: -1253.429 where: short stacking energy: -513.009 Base-Backbone interact. energy: -1.083 local terms energy: -508.254117 where: bonds (distance) C4'-P energy: -100.689 bonds (distance) P-C4' energy: -82.323 flat angles C4'-P-C4' energy: -103.982 flat angles P-C4'-P energy: -77.139 tors. eta vs tors. theta energy: -144.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2706.464050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.464050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.464050 (E_RNA) where: Base-Base interactions energy: -1954.606 where: short stacking energy: -750.459 Base-Backbone interact. energy: -1.470 local terms energy: -750.388504 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -152.784 flat angles P-C4'-P energy: -105.967 tors. eta vs tors. theta energy: -225.790 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: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2638.381475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.381475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.381475 (E_RNA) where: Base-Base interactions energy: -1924.186 where: short stacking energy: -745.619 Base-Backbone interact. energy: -2.506 local terms energy: -711.689435 where: bonds (distance) C4'-P energy: -119.185 bonds (distance) P-C4' energy: -123.287 flat angles C4'-P-C4' energy: -154.343 flat angles P-C4'-P energy: -100.330 tors. eta vs tors. theta energy: -214.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2577.509340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.509340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.509340 (E_RNA) where: Base-Base interactions energy: -1844.352 where: short stacking energy: -702.110 Base-Backbone interact. energy: -1.902 local terms energy: -731.255806 where: bonds (distance) C4'-P energy: -125.897 bonds (distance) P-C4' energy: -131.584 flat angles C4'-P-C4' energy: -151.974 flat angles P-C4'-P energy: -100.167 tors. eta vs tors. theta energy: -221.635 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: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2543.525630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.525630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.525630 (E_RNA) where: Base-Base interactions energy: -1858.795 where: short stacking energy: -729.639 Base-Backbone interact. energy: -1.171 local terms energy: -683.559528 where: bonds (distance) C4'-P energy: -118.123 bonds (distance) P-C4' energy: -124.548 flat angles C4'-P-C4' energy: -134.311 flat angles P-C4'-P energy: -98.433 tors. eta vs tors. theta energy: -208.145 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: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2506.374505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.374505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.374505 (E_RNA) where: Base-Base interactions energy: -1858.582 where: short stacking energy: -713.587 Base-Backbone interact. energy: -3.173 local terms energy: -644.619259 where: bonds (distance) C4'-P energy: -108.330 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -135.203 flat angles P-C4'-P energy: -90.217 tors. eta vs tors. theta energy: -209.929 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: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2396.008787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.008787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.008787 (E_RNA) where: Base-Base interactions energy: -1752.790 where: short stacking energy: -693.229 Base-Backbone interact. energy: 2.517 local terms energy: -645.735565 where: bonds (distance) C4'-P energy: -124.468 bonds (distance) P-C4' energy: -101.730 flat angles C4'-P-C4' energy: -130.471 flat angles P-C4'-P energy: -86.892 tors. eta vs tors. theta energy: -202.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2342.506936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.506936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.506936 (E_RNA) where: Base-Base interactions energy: -1735.048 where: short stacking energy: -657.968 Base-Backbone interact. energy: -1.285 local terms energy: -606.174012 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -90.675 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -83.213 tors. eta vs tors. theta energy: -191.816 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: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2270.996581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.996581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.996581 (E_RNA) where: Base-Base interactions energy: -1688.460 where: short stacking energy: -646.059 Base-Backbone interact. energy: 2.636 local terms energy: -585.173031 where: bonds (distance) C4'-P energy: -104.636 bonds (distance) P-C4' energy: -88.980 flat angles C4'-P-C4' energy: -122.531 flat angles P-C4'-P energy: -80.195 tors. eta vs tors. theta energy: -188.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1990.551542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.551542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.551542 (E_RNA) where: Base-Base interactions energy: -1452.805 where: short stacking energy: -538.759 Base-Backbone interact. energy: -2.218 local terms energy: -535.528390 where: bonds (distance) C4'-P energy: -107.969 bonds (distance) P-C4' energy: -89.771 flat angles C4'-P-C4' energy: -123.665 flat angles P-C4'-P energy: -60.303 tors. eta vs tors. theta energy: -153.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1686.901294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.901294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.901294 (E_RNA) where: Base-Base interactions energy: -1158.049 where: short stacking energy: -462.139 Base-Backbone interact. energy: -4.723 local terms energy: -524.129451 where: bonds (distance) C4'-P energy: -95.502 bonds (distance) P-C4' energy: -103.925 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -83.948 tors. eta vs tors. theta energy: -132.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2721.370513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.370513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.370513 (E_RNA) where: Base-Base interactions energy: -1976.865 where: short stacking energy: -778.626 Base-Backbone interact. energy: -0.897 local terms energy: -743.607590 where: bonds (distance) C4'-P energy: -132.442 bonds (distance) P-C4' energy: -128.692 flat angles C4'-P-C4' energy: -143.473 flat angles P-C4'-P energy: -107.932 tors. eta vs tors. theta energy: -231.068 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: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2631.354518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.354518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.354518 (E_RNA) where: Base-Base interactions energy: -1919.993 where: short stacking energy: -738.905 Base-Backbone interact. energy: -0.352 local terms energy: -711.009668 where: bonds (distance) C4'-P energy: -119.689 bonds (distance) P-C4' energy: -124.824 flat angles C4'-P-C4' energy: -149.946 flat angles P-C4'-P energy: -97.708 tors. eta vs tors. theta energy: -218.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2606.565113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.565113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.565113 (E_RNA) where: Base-Base interactions energy: -1934.490 where: short stacking energy: -737.453 Base-Backbone interact. energy: -1.584 local terms energy: -670.490899 where: bonds (distance) C4'-P energy: -105.984 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -146.120 flat angles P-C4'-P energy: -80.613 tors. eta vs tors. theta energy: -212.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2557.062980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.062980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.062980 (E_RNA) where: Base-Base interactions energy: -1885.484 where: short stacking energy: -716.946 Base-Backbone interact. energy: 5.007 local terms energy: -676.585352 where: bonds (distance) C4'-P energy: -120.699 bonds (distance) P-C4' energy: -109.372 flat angles C4'-P-C4' energy: -143.485 flat angles P-C4'-P energy: -94.756 tors. eta vs tors. theta energy: -208.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2477.114244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.114244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.114244 (E_RNA) where: Base-Base interactions energy: -1807.477 where: short stacking energy: -700.033 Base-Backbone interact. energy: -1.996 local terms energy: -667.641526 where: bonds (distance) C4'-P energy: -119.406 bonds (distance) P-C4' energy: -109.295 flat angles C4'-P-C4' energy: -133.513 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -210.329 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: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2407.131038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.131038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.131038 (E_RNA) where: Base-Base interactions energy: -1737.844 where: short stacking energy: -689.352 Base-Backbone interact. energy: -1.526 local terms energy: -667.760739 where: bonds (distance) C4'-P energy: -106.843 bonds (distance) P-C4' energy: -110.562 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -214.966 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: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2337.175325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.175325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.175325 (E_RNA) where: Base-Base interactions energy: -1695.180 where: short stacking energy: -645.465 Base-Backbone interact. energy: -0.368 local terms energy: -641.627722 where: bonds (distance) C4'-P energy: -99.286 bonds (distance) P-C4' energy: -114.842 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -92.141 tors. eta vs tors. theta energy: -202.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2278.608646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.608646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.608646 (E_RNA) where: Base-Base interactions energy: -1689.218 where: short stacking energy: -659.895 Base-Backbone interact. energy: -2.087 local terms energy: -587.304030 where: bonds (distance) C4'-P energy: -82.195 bonds (distance) P-C4' energy: -90.778 flat angles C4'-P-C4' energy: -138.255 flat angles P-C4'-P energy: -87.948 tors. eta vs tors. theta energy: -188.129 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: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1993.392592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.392592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.392592 (E_RNA) where: Base-Base interactions energy: -1459.792 where: short stacking energy: -567.228 Base-Backbone interact. energy: 1.076 local terms energy: -534.676103 where: bonds (distance) C4'-P energy: -104.950 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -112.047 flat angles P-C4'-P energy: -65.307 tors. eta vs tors. theta energy: -161.539 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: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1730.935988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.935988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.935988 (E_RNA) where: Base-Base interactions energy: -1234.875 where: short stacking energy: -498.263 Base-Backbone interact. energy: -1.195 local terms energy: -494.866067 where: bonds (distance) C4'-P energy: -64.272 bonds (distance) P-C4' energy: -80.694 flat angles C4'-P-C4' energy: -121.284 flat angles P-C4'-P energy: -94.913 tors. eta vs tors. theta energy: -133.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2706.172024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.172024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.172024 (E_RNA) where: Base-Base interactions energy: -1995.560 where: short stacking energy: -772.849 Base-Backbone interact. energy: -0.167 local terms energy: -710.444986 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -119.908 flat angles C4'-P-C4' energy: -142.765 flat angles P-C4'-P energy: -101.695 tors. eta vs tors. theta energy: -224.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2627.377662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.377662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.377662 (E_RNA) where: Base-Base interactions energy: -1922.911 where: short stacking energy: -758.643 Base-Backbone interact. energy: 3.711 local terms energy: -708.178246 where: bonds (distance) C4'-P energy: -111.429 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -152.459 flat angles P-C4'-P energy: -110.722 tors. eta vs tors. theta energy: -217.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2619.559745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.559745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.559745 (E_RNA) where: Base-Base interactions energy: -1920.663 where: short stacking energy: -742.552 Base-Backbone interact. energy: -1.476 local terms energy: -697.420644 where: bonds (distance) C4'-P energy: -119.619 bonds (distance) P-C4' energy: -120.975 flat angles C4'-P-C4' energy: -146.193 flat angles P-C4'-P energy: -85.736 tors. eta vs tors. theta energy: -224.898 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: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2547.824468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.824468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.824468 (E_RNA) where: Base-Base interactions energy: -1852.521 where: short stacking energy: -720.860 Base-Backbone interact. energy: 1.001 local terms energy: -696.304493 where: bonds (distance) C4'-P energy: -119.124 bonds (distance) P-C4' energy: -124.419 flat angles C4'-P-C4' energy: -141.969 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -209.152 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: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2489.330427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.330427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.330427 (E_RNA) where: Base-Base interactions energy: -1810.287 where: short stacking energy: -704.583 Base-Backbone interact. energy: 1.017 local terms energy: -680.060449 where: bonds (distance) C4'-P energy: -111.228 bonds (distance) P-C4' energy: -121.834 flat angles C4'-P-C4' energy: -138.532 flat angles P-C4'-P energy: -96.102 tors. eta vs tors. theta energy: -212.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2408.017706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.017706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.017706 (E_RNA) where: Base-Base interactions energy: -1768.903 where: short stacking energy: -699.839 Base-Backbone interact. energy: -1.837 local terms energy: -637.277802 where: bonds (distance) C4'-P energy: -77.596 bonds (distance) P-C4' energy: -121.808 flat angles C4'-P-C4' energy: -137.249 flat angles P-C4'-P energy: -85.435 tors. eta vs tors. theta energy: -215.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2305.396679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.396679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.396679 (E_RNA) where: Base-Base interactions energy: -1663.184 where: short stacking energy: -646.030 Base-Backbone interact. energy: 0.141 local terms energy: -642.353879 where: bonds (distance) C4'-P energy: -107.999 bonds (distance) P-C4' energy: -107.115 flat angles C4'-P-C4' energy: -135.630 flat angles P-C4'-P energy: -98.718 tors. eta vs tors. theta energy: -192.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -2262.469640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.469640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.469640 (E_RNA) where: Base-Base interactions energy: -1649.474 where: short stacking energy: -626.439 Base-Backbone interact. energy: -1.809 local terms energy: -611.186736 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -111.598 flat angles C4'-P-C4' energy: -117.908 flat angles P-C4'-P energy: -89.062 tors. eta vs tors. theta energy: -191.222 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: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1984.134643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.134643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.134643 (E_RNA) where: Base-Base interactions energy: -1439.482 where: short stacking energy: -569.715 Base-Backbone interact. energy: -0.361 local terms energy: -544.291630 where: bonds (distance) C4'-P energy: -87.759 bonds (distance) P-C4' energy: -98.395 flat angles C4'-P-C4' energy: -112.616 flat angles P-C4'-P energy: -81.209 tors. eta vs tors. theta energy: -164.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1699.431014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.431014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.431014 (E_RNA) where: Base-Base interactions energy: -1229.166 where: short stacking energy: -475.879 Base-Backbone interact. energy: -0.240 local terms energy: -470.024333 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -86.213 flat angles C4'-P-C4' energy: -106.866 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -119.820 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: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2725.333346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.333346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.333346 (E_RNA) where: Base-Base interactions energy: -1968.987 where: short stacking energy: -750.824 Base-Backbone interact. energy: -1.008 local terms energy: -755.338626 where: bonds (distance) C4'-P energy: -134.537 bonds (distance) P-C4' energy: -141.366 flat angles C4'-P-C4' energy: -149.473 flat angles P-C4'-P energy: -106.036 tors. eta vs tors. theta energy: -223.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2656.335467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.335467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.335467 (E_RNA) where: Base-Base interactions energy: -1978.104 where: short stacking energy: -768.280 Base-Backbone interact. energy: 0.680 local terms energy: -678.911257 where: bonds (distance) C4'-P energy: -112.942 bonds (distance) P-C4' energy: -106.352 flat angles C4'-P-C4' energy: -148.452 flat angles P-C4'-P energy: -94.465 tors. eta vs tors. theta energy: -216.700 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: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2592.369736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.369736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.369736 (E_RNA) where: Base-Base interactions energy: -1876.497 where: short stacking energy: -717.824 Base-Backbone interact. energy: 0.665 local terms energy: -716.537969 where: bonds (distance) C4'-P energy: -113.088 bonds (distance) P-C4' energy: -118.948 flat angles C4'-P-C4' energy: -157.832 flat angles P-C4'-P energy: -102.287 tors. eta vs tors. theta energy: -224.384 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: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2517.610595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.610595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.610595 (E_RNA) where: Base-Base interactions energy: -1832.465 where: short stacking energy: -716.180 Base-Backbone interact. energy: -1.199 local terms energy: -683.947170 where: bonds (distance) C4'-P energy: -111.155 bonds (distance) P-C4' energy: -104.863 flat angles C4'-P-C4' energy: -154.116 flat angles P-C4'-P energy: -92.385 tors. eta vs tors. theta energy: -221.428 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: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2501.261719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.261719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.261719 (E_RNA) where: Base-Base interactions energy: -1851.948 where: short stacking energy: -704.059 Base-Backbone interact. energy: 4.442 local terms energy: -653.756421 where: bonds (distance) C4'-P energy: -103.777 bonds (distance) P-C4' energy: -117.624 flat angles C4'-P-C4' energy: -129.794 flat angles P-C4'-P energy: -91.865 tors. eta vs tors. theta energy: -210.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2392.292590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.292590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.292590 (E_RNA) where: Base-Base interactions energy: -1753.021 where: short stacking energy: -691.168 Base-Backbone interact. energy: 1.008 local terms energy: -640.279105 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -104.276 flat angles C4'-P-C4' energy: -139.390 flat angles P-C4'-P energy: -84.791 tors. eta vs tors. theta energy: -205.222 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: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2349.793759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.793759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.793759 (E_RNA) where: Base-Base interactions energy: -1738.281 where: short stacking energy: -665.565 Base-Backbone interact. energy: -0.433 local terms energy: -611.079771 where: bonds (distance) C4'-P energy: -108.462 bonds (distance) P-C4' energy: -102.538 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -86.552 tors. eta vs tors. theta energy: -193.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2275.999147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.999147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.999147 (E_RNA) where: Base-Base interactions energy: -1650.928 where: short stacking energy: -626.463 Base-Backbone interact. energy: 1.790 local terms energy: -626.860972 where: bonds (distance) C4'-P energy: -107.555 bonds (distance) P-C4' energy: -112.469 flat angles C4'-P-C4' energy: -134.350 flat angles P-C4'-P energy: -88.142 tors. eta vs tors. theta energy: -184.345 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: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -2016.328964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.328964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.328964 (E_RNA) where: Base-Base interactions energy: -1458.147 where: short stacking energy: -556.761 Base-Backbone interact. energy: -1.002 local terms energy: -557.180416 where: bonds (distance) C4'-P energy: -99.570 bonds (distance) P-C4' energy: -102.158 flat angles C4'-P-C4' energy: -122.324 flat angles P-C4'-P energy: -75.581 tors. eta vs tors. theta energy: -157.547 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1724.458035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.458035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.458035 (E_RNA) where: Base-Base interactions energy: -1231.232 where: short stacking energy: -498.857 Base-Backbone interact. energy: 1.749 local terms energy: -494.974761 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -99.804 flat angles C4'-P-C4' energy: -103.855 flat angles P-C4'-P energy: -85.324 tors. eta vs tors. theta energy: -126.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2718.194799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.194799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.194799 (E_RNA) where: Base-Base interactions energy: -1986.263 where: short stacking energy: -774.362 Base-Backbone interact. energy: -1.288 local terms energy: -730.643941 where: bonds (distance) C4'-P energy: -119.857 bonds (distance) P-C4' energy: -109.920 flat angles C4'-P-C4' energy: -152.862 flat angles P-C4'-P energy: -116.933 tors. eta vs tors. theta energy: -231.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2657.492390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.492390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.492390 (E_RNA) where: Base-Base interactions energy: -1943.500 where: short stacking energy: -749.774 Base-Backbone interact. energy: -0.307 local terms energy: -713.685538 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -124.194 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -103.174 tors. eta vs tors. theta energy: -225.008 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2595.245732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.245732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.245732 (E_RNA) where: Base-Base interactions energy: -1907.918 where: short stacking energy: -744.312 Base-Backbone interact. energy: -1.191 local terms energy: -686.136701 where: bonds (distance) C4'-P energy: -109.814 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -148.219 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -221.528 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2531.782871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.782871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.782871 (E_RNA) where: Base-Base interactions energy: -1833.180 where: short stacking energy: -725.282 Base-Backbone interact. energy: -1.461 local terms energy: -697.141633 where: bonds (distance) C4'-P energy: -114.277 bonds (distance) P-C4' energy: -115.744 flat angles C4'-P-C4' energy: -147.802 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -223.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2543.129235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.129235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.129235 (E_RNA) where: Base-Base interactions energy: -1879.527 where: short stacking energy: -718.604 Base-Backbone interact. energy: 0.396 local terms energy: -663.997930 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -112.719 flat angles C4'-P-C4' energy: -135.191 flat angles P-C4'-P energy: -97.074 tors. eta vs tors. theta energy: -211.429 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: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2386.941454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.941454 (E_RNA) where: Base-Base interactions energy: -1740.420 where: short stacking energy: -674.860 Base-Backbone interact. energy: 0.817 local terms energy: -647.339029 where: bonds (distance) C4'-P energy: -111.152 bonds (distance) P-C4' energy: -114.740 flat angles C4'-P-C4' energy: -139.900 flat angles P-C4'-P energy: -86.463 tors. eta vs tors. theta energy: -195.083 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: 7, replica: 3 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2327.610799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.610799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.610799 (E_RNA) where: Base-Base interactions energy: -1707.343 where: short stacking energy: -680.552 Base-Backbone interact. energy: -1.390 local terms energy: -618.877507 where: bonds (distance) C4'-P energy: -96.653 bonds (distance) P-C4' energy: -94.843 flat angles C4'-P-C4' energy: -128.325 flat angles P-C4'-P energy: -91.946 tors. eta vs tors. theta energy: -207.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2273.218426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.218426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.218426 (E_RNA) where: Base-Base interactions energy: -1665.970 where: short stacking energy: -644.444 Base-Backbone interact. energy: -0.772 local terms energy: -606.476714 where: bonds (distance) C4'-P energy: -110.657 bonds (distance) P-C4' energy: -90.750 flat angles C4'-P-C4' energy: -128.023 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -201.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -2035.593301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.593301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.593301 (E_RNA) where: Base-Base interactions energy: -1487.056 where: short stacking energy: -567.606 Base-Backbone interact. energy: -2.151 local terms energy: -546.385973 where: bonds (distance) C4'-P energy: -97.451 bonds (distance) P-C4' energy: -76.239 flat angles C4'-P-C4' energy: -129.162 flat angles P-C4'-P energy: -82.906 tors. eta vs tors. theta energy: -160.627 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: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1782.934851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.934851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.934851 (E_RNA) where: Base-Base interactions energy: -1272.450 where: short stacking energy: -495.606 Base-Backbone interact. energy: 1.116 local terms energy: -511.600786 where: bonds (distance) C4'-P energy: -97.571 bonds (distance) P-C4' energy: -113.127 flat angles C4'-P-C4' energy: -106.501 flat angles P-C4'-P energy: -75.211 tors. eta vs tors. theta energy: -119.191 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: 415 Temperature: 0.900000 Total energy: -2706.600380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.600380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.600380 (E_RNA) where: Base-Base interactions energy: -1968.754 where: short stacking energy: -760.539 Base-Backbone interact. energy: -0.082 local terms energy: -737.764574 where: bonds (distance) C4'-P energy: -120.757 bonds (distance) P-C4' energy: -126.779 flat angles C4'-P-C4' energy: -153.834 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -227.703 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: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2652.040160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.040160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.040160 (E_RNA) where: Base-Base interactions energy: -1941.826 where: short stacking energy: -747.805 Base-Backbone interact. energy: -3.998 local terms energy: -706.215883 where: bonds (distance) C4'-P energy: -136.693 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -141.427 flat angles P-C4'-P energy: -92.824 tors. eta vs tors. theta energy: -215.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2592.411596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.411596 (E_RNA) where: Base-Base interactions energy: -1891.174 where: short stacking energy: -721.444 Base-Backbone interact. energy: 0.263 local terms energy: -701.500457 where: bonds (distance) C4'-P energy: -119.093 bonds (distance) P-C4' energy: -112.650 flat angles C4'-P-C4' energy: -147.719 flat angles P-C4'-P energy: -108.200 tors. eta vs tors. theta energy: -213.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2553.525573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.525573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.525573 (E_RNA) where: Base-Base interactions energy: -1877.730 where: short stacking energy: -715.955 Base-Backbone interact. energy: 1.865 local terms energy: -677.661302 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -109.770 flat angles C4'-P-C4' energy: -146.432 flat angles P-C4'-P energy: -104.535 tors. eta vs tors. theta energy: -207.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2511.774843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.774843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.774843 (E_RNA) where: Base-Base interactions energy: -1812.029 where: short stacking energy: -714.624 Base-Backbone interact. energy: -0.923 local terms energy: -698.823486 where: bonds (distance) C4'-P energy: -113.545 bonds (distance) P-C4' energy: -125.207 flat angles C4'-P-C4' energy: -141.196 flat angles P-C4'-P energy: -103.007 tors. eta vs tors. theta energy: -215.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2403.485378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.485378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.485378 (E_RNA) where: Base-Base interactions energy: -1758.788 where: short stacking energy: -691.490 Base-Backbone interact. energy: 0.911 local terms energy: -645.608841 where: bonds (distance) C4'-P energy: -98.278 bonds (distance) P-C4' energy: -121.014 flat angles C4'-P-C4' energy: -127.887 flat angles P-C4'-P energy: -93.085 tors. eta vs tors. theta energy: -205.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2368.804413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.804413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.804413 (E_RNA) where: Base-Base interactions energy: -1740.618 where: short stacking energy: -654.881 Base-Backbone interact. energy: -1.698 local terms energy: -626.488342 where: bonds (distance) C4'-P energy: -98.898 bonds (distance) P-C4' energy: -99.266 flat angles C4'-P-C4' energy: -136.967 flat angles P-C4'-P energy: -94.712 tors. eta vs tors. theta energy: -196.646 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: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -2320.006063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.006063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.006063 (E_RNA) where: Base-Base interactions energy: -1686.055 where: short stacking energy: -655.588 Base-Backbone interact. energy: -2.213 local terms energy: -631.738053 where: bonds (distance) C4'-P energy: -109.567 bonds (distance) P-C4' energy: -96.030 flat angles C4'-P-C4' energy: -135.830 flat angles P-C4'-P energy: -90.588 tors. eta vs tors. theta energy: -199.723 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: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -2019.837233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.837233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.837233 (E_RNA) where: Base-Base interactions energy: -1470.920 where: short stacking energy: -576.721 Base-Backbone interact. energy: 3.561 local terms energy: -552.477400 where: bonds (distance) C4'-P energy: -103.089 bonds (distance) P-C4' energy: -90.957 flat angles C4'-P-C4' energy: -113.279 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -168.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1780.794734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.794734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.794734 (E_RNA) where: Base-Base interactions energy: -1258.904 where: short stacking energy: -501.423 Base-Backbone interact. energy: 2.608 local terms energy: -524.498949 where: bonds (distance) C4'-P energy: -88.427 bonds (distance) P-C4' energy: -104.938 flat angles C4'-P-C4' energy: -122.802 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -126.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2742.373918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.373918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.373918 (E_RNA) where: Base-Base interactions energy: -1983.219 where: short stacking energy: -775.885 Base-Backbone interact. energy: -2.048 local terms energy: -757.106527 where: bonds (distance) C4'-P energy: -141.765 bonds (distance) P-C4' energy: -124.047 flat angles C4'-P-C4' energy: -156.096 flat angles P-C4'-P energy: -108.339 tors. eta vs tors. theta energy: -226.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2643.034876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.034876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.034876 (E_RNA) where: Base-Base interactions energy: -1932.780 where: short stacking energy: -738.362 Base-Backbone interact. energy: -0.971 local terms energy: -709.283638 where: bonds (distance) C4'-P energy: -115.660 bonds (distance) P-C4' energy: -129.488 flat angles C4'-P-C4' energy: -144.310 flat angles P-C4'-P energy: -99.203 tors. eta vs tors. theta energy: -220.623 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: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2587.504516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.504516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.504516 (E_RNA) where: Base-Base interactions energy: -1884.719 where: short stacking energy: -722.250 Base-Backbone interact. energy: 2.514 local terms energy: -705.299796 where: bonds (distance) C4'-P energy: -124.122 bonds (distance) P-C4' energy: -128.981 flat angles C4'-P-C4' energy: -141.433 flat angles P-C4'-P energy: -95.659 tors. eta vs tors. theta energy: -215.105 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: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2566.421626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.421626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.421626 (E_RNA) where: Base-Base interactions energy: -1870.939 where: short stacking energy: -726.503 Base-Backbone interact. energy: -1.948 local terms energy: -693.534005 where: bonds (distance) C4'-P energy: -120.432 bonds (distance) P-C4' energy: -101.051 flat angles C4'-P-C4' energy: -153.118 flat angles P-C4'-P energy: -103.953 tors. eta vs tors. theta energy: -214.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2442.733316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.733316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.733316 (E_RNA) where: Base-Base interactions energy: -1802.769 where: short stacking energy: -713.298 Base-Backbone interact. energy: -2.787 local terms energy: -637.177163 where: bonds (distance) C4'-P energy: -99.334 bonds (distance) P-C4' energy: -101.166 flat angles C4'-P-C4' energy: -140.018 flat angles P-C4'-P energy: -92.029 tors. eta vs tors. theta energy: -204.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2459.265711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.265711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.265711 (E_RNA) where: Base-Base interactions energy: -1783.840 where: short stacking energy: -696.879 Base-Backbone interact. energy: -1.627 local terms energy: -673.798900 where: bonds (distance) C4'-P energy: -123.604 bonds (distance) P-C4' energy: -108.536 flat angles C4'-P-C4' energy: -132.195 flat angles P-C4'-P energy: -94.122 tors. eta vs tors. theta energy: -215.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2326.743259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.743259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.743259 (E_RNA) where: Base-Base interactions energy: -1701.715 where: short stacking energy: -652.290 Base-Backbone interact. energy: -1.719 local terms energy: -623.308796 where: bonds (distance) C4'-P energy: -106.332 bonds (distance) P-C4' energy: -108.125 flat angles C4'-P-C4' energy: -127.821 flat angles P-C4'-P energy: -88.623 tors. eta vs tors. theta energy: -192.407 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: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -2315.362288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.362288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.362288 (E_RNA) where: Base-Base interactions energy: -1687.176 where: short stacking energy: -653.167 Base-Backbone interact. energy: -1.448 local terms energy: -626.738010 where: bonds (distance) C4'-P energy: -103.226 bonds (distance) P-C4' energy: -90.519 flat angles C4'-P-C4' energy: -139.739 flat angles P-C4'-P energy: -91.759 tors. eta vs tors. theta energy: -201.495 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: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -2024.368114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.368114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.368114 (E_RNA) where: Base-Base interactions energy: -1474.940 where: short stacking energy: -552.094 Base-Backbone interact. energy: -1.554 local terms energy: -547.874352 where: bonds (distance) C4'-P energy: -75.753 bonds (distance) P-C4' energy: -100.645 flat angles C4'-P-C4' energy: -117.077 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -167.386 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: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1752.168593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.168593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.168593 (E_RNA) where: Base-Base interactions energy: -1257.970 where: short stacking energy: -499.733 Base-Backbone interact. energy: -1.225 local terms energy: -492.973333 where: bonds (distance) C4'-P energy: -93.987 bonds (distance) P-C4' energy: -76.986 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -138.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2705.839259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.839259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.839259 (E_RNA) where: Base-Base interactions energy: -1963.071 where: short stacking energy: -757.074 Base-Backbone interact. energy: -0.639 local terms energy: -742.129654 where: bonds (distance) C4'-P energy: -126.107 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -154.228 flat angles P-C4'-P energy: -112.161 tors. eta vs tors. theta energy: -226.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2661.252578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.252578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.252578 (E_RNA) where: Base-Base interactions energy: -1955.375 where: short stacking energy: -749.225 Base-Backbone interact. energy: 0.705 local terms energy: -706.582610 where: bonds (distance) C4'-P energy: -123.219 bonds (distance) P-C4' energy: -112.373 flat angles C4'-P-C4' energy: -154.261 flat angles P-C4'-P energy: -96.651 tors. eta vs tors. theta energy: -220.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2570.796434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.796434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.796434 (E_RNA) where: Base-Base interactions energy: -1872.136 where: short stacking energy: -714.115 Base-Backbone interact. energy: -0.967 local terms energy: -697.693353 where: bonds (distance) C4'-P energy: -115.913 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -146.427 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -205.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2570.860882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.860882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.860882 (E_RNA) where: Base-Base interactions energy: -1869.846 where: short stacking energy: -728.373 Base-Backbone interact. energy: -0.443 local terms energy: -700.571780 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -112.908 flat angles C4'-P-C4' energy: -149.605 flat angles P-C4'-P energy: -109.265 tors. eta vs tors. theta energy: -222.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2447.383808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.383808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.383808 (E_RNA) where: Base-Base interactions energy: -1780.627 where: short stacking energy: -694.718 Base-Backbone interact. energy: -0.796 local terms energy: -665.960831 where: bonds (distance) C4'-P energy: -111.614 bonds (distance) P-C4' energy: -108.156 flat angles C4'-P-C4' energy: -139.732 flat angles P-C4'-P energy: -98.313 tors. eta vs tors. theta energy: -208.146 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: 417 Temperature: 1.150000 Total energy: -2442.271174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.271174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.271174 (E_RNA) where: Base-Base interactions energy: -1796.272 where: short stacking energy: -706.089 Base-Backbone interact. energy: 1.693 local terms energy: -647.691930 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -106.458 flat angles C4'-P-C4' energy: -136.405 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -213.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2371.585697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.585697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.585697 (E_RNA) where: Base-Base interactions energy: -1755.994 where: short stacking energy: -662.644 Base-Backbone interact. energy: -0.829 local terms energy: -614.762768 where: bonds (distance) C4'-P energy: -102.738 bonds (distance) P-C4' energy: -93.552 flat angles C4'-P-C4' energy: -150.138 flat angles P-C4'-P energy: -78.437 tors. eta vs tors. theta energy: -189.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -2297.955812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.955812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.955812 (E_RNA) where: Base-Base interactions energy: -1694.770 where: short stacking energy: -668.794 Base-Backbone interact. energy: -1.628 local terms energy: -601.557048 where: bonds (distance) C4'-P energy: -105.409 bonds (distance) P-C4' energy: -70.744 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -89.972 tors. eta vs tors. theta energy: -201.038 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: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -2012.824441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.824441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.824441 (E_RNA) where: Base-Base interactions energy: -1459.160 where: short stacking energy: -576.165 Base-Backbone interact. energy: -1.911 local terms energy: -551.753210 where: bonds (distance) C4'-P energy: -77.740 bonds (distance) P-C4' energy: -106.233 flat angles C4'-P-C4' energy: -117.428 flat angles P-C4'-P energy: -89.229 tors. eta vs tors. theta energy: -161.122 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: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1769.457967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.457967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.457967 (E_RNA) where: Base-Base interactions energy: -1251.900 where: short stacking energy: -487.975 Base-Backbone interact. energy: -0.685 local terms energy: -516.873036 where: bonds (distance) C4'-P energy: -98.016 bonds (distance) P-C4' energy: -107.661 flat angles C4'-P-C4' energy: -110.360 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -130.317 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: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2703.014839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.014839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.014839 (E_RNA) where: Base-Base interactions energy: -1964.629 where: short stacking energy: -754.134 Base-Backbone interact. energy: -2.509 local terms energy: -735.876364 where: bonds (distance) C4'-P energy: -128.519 bonds (distance) P-C4' energy: -127.083 flat angles C4'-P-C4' energy: -148.043 flat angles P-C4'-P energy: -105.605 tors. eta vs tors. theta energy: -226.626 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: 10 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2659.949984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.949984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.949984 (E_RNA) where: Base-Base interactions energy: -1959.019 where: short stacking energy: -762.136 Base-Backbone interact. energy: 1.248 local terms energy: -702.179079 where: bonds (distance) C4'-P energy: -119.787 bonds (distance) P-C4' energy: -130.280 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -95.913 tors. eta vs tors. theta energy: -219.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2592.650302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.650302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.650302 (E_RNA) where: Base-Base interactions energy: -1908.854 where: short stacking energy: -737.343 Base-Backbone interact. energy: -1.130 local terms energy: -682.665712 where: bonds (distance) C4'-P energy: -122.561 bonds (distance) P-C4' energy: -127.143 flat angles C4'-P-C4' energy: -139.026 flat angles P-C4'-P energy: -88.118 tors. eta vs tors. theta energy: -205.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2547.880530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.880530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.880530 (E_RNA) where: Base-Base interactions energy: -1868.044 where: short stacking energy: -717.319 Base-Backbone interact. energy: -0.117 local terms energy: -679.719828 where: bonds (distance) C4'-P energy: -104.381 bonds (distance) P-C4' energy: -112.290 flat angles C4'-P-C4' energy: -148.557 flat angles P-C4'-P energy: -103.317 tors. eta vs tors. theta energy: -211.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2487.701915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.701915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.701915 (E_RNA) where: Base-Base interactions energy: -1818.229 where: short stacking energy: -696.300 Base-Backbone interact. energy: -1.461 local terms energy: -668.011584 where: bonds (distance) C4'-P energy: -115.081 bonds (distance) P-C4' energy: -106.656 flat angles C4'-P-C4' energy: -128.437 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -217.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2414.577019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.577019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.577019 (E_RNA) where: Base-Base interactions energy: -1766.919 where: short stacking energy: -686.183 Base-Backbone interact. energy: 0.731 local terms energy: -648.389093 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -115.207 flat angles C4'-P-C4' energy: -141.202 flat angles P-C4'-P energy: -93.257 tors. eta vs tors. theta energy: -202.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2322.165580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.165580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.165580 (E_RNA) where: Base-Base interactions energy: -1683.580 where: short stacking energy: -672.492 Base-Backbone interact. energy: 2.890 local terms energy: -641.475850 where: bonds (distance) C4'-P energy: -105.369 bonds (distance) P-C4' energy: -110.360 flat angles C4'-P-C4' energy: -139.504 flat angles P-C4'-P energy: -88.109 tors. eta vs tors. theta energy: -198.134 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: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -2298.376613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.376613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.376613 (E_RNA) where: Base-Base interactions energy: -1680.002 where: short stacking energy: -642.605 Base-Backbone interact. energy: 0.456 local terms energy: -618.831302 where: bonds (distance) C4'-P energy: -115.973 bonds (distance) P-C4' energy: -91.146 flat angles C4'-P-C4' energy: -133.047 flat angles P-C4'-P energy: -81.459 tors. eta vs tors. theta energy: -197.206 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: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1980.570111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.570111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.570111 (E_RNA) where: Base-Base interactions energy: -1464.516 where: short stacking energy: -565.037 Base-Backbone interact. energy: 1.557 local terms energy: -517.610828 where: bonds (distance) C4'-P energy: -94.782 bonds (distance) P-C4' energy: -90.910 flat angles C4'-P-C4' energy: -115.574 flat angles P-C4'-P energy: -72.434 tors. eta vs tors. theta energy: -143.911 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: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1798.738785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.738785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.738785 (E_RNA) where: Base-Base interactions energy: -1318.219 where: short stacking energy: -516.670 Base-Backbone interact. energy: -2.187 local terms energy: -478.332600 where: bonds (distance) C4'-P energy: -75.329 bonds (distance) P-C4' energy: -91.999 flat angles C4'-P-C4' energy: -102.156 flat angles P-C4'-P energy: -70.253 tors. eta vs tors. theta energy: -138.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2692.816161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.816161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.816161 (E_RNA) where: Base-Base interactions energy: -1969.105 where: short stacking energy: -753.683 Base-Backbone interact. energy: 2.882 local terms energy: -726.593123 where: bonds (distance) C4'-P energy: -129.719 bonds (distance) P-C4' energy: -114.221 flat angles C4'-P-C4' energy: -145.823 flat angles P-C4'-P energy: -115.635 tors. eta vs tors. theta energy: -221.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2632.554981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.554981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.554981 (E_RNA) where: Base-Base interactions energy: -1939.314 where: short stacking energy: -735.741 Base-Backbone interact. energy: -0.857 local terms energy: -692.383353 where: bonds (distance) C4'-P energy: -121.586 bonds (distance) P-C4' energy: -112.252 flat angles C4'-P-C4' energy: -148.567 flat angles P-C4'-P energy: -100.237 tors. eta vs tors. theta energy: -209.740 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: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2602.595612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.595612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.595612 (E_RNA) where: Base-Base interactions energy: -1924.378 where: short stacking energy: -719.146 Base-Backbone interact. energy: -0.560 local terms energy: -677.658283 where: bonds (distance) C4'-P energy: -110.332 bonds (distance) P-C4' energy: -120.116 flat angles C4'-P-C4' energy: -147.702 flat angles P-C4'-P energy: -84.332 tors. eta vs tors. theta energy: -215.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2561.677242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.677242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.677242 (E_RNA) where: Base-Base interactions energy: -1870.736 where: short stacking energy: -727.106 Base-Backbone interact. energy: 1.240 local terms energy: -692.181298 where: bonds (distance) C4'-P energy: -115.269 bonds (distance) P-C4' energy: -110.502 flat angles C4'-P-C4' energy: -148.144 flat angles P-C4'-P energy: -90.158 tors. eta vs tors. theta energy: -228.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2479.035931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.035931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.035931 (E_RNA) where: Base-Base interactions energy: -1815.755 where: short stacking energy: -717.861 Base-Backbone interact. energy: -1.285 local terms energy: -661.996076 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -142.328 flat angles P-C4'-P energy: -74.264 tors. eta vs tors. theta energy: -218.620 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: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2416.179482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.179482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.179482 (E_RNA) where: Base-Base interactions energy: -1777.037 where: short stacking energy: -701.232 Base-Backbone interact. energy: -2.138 local terms energy: -637.004284 where: bonds (distance) C4'-P energy: -103.278 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -147.239 flat angles P-C4'-P energy: -84.653 tors. eta vs tors. theta energy: -208.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2328.687928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.687928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.687928 (E_RNA) where: Base-Base interactions energy: -1697.706 where: short stacking energy: -677.339 Base-Backbone interact. energy: -1.724 local terms energy: -629.257720 where: bonds (distance) C4'-P energy: -106.916 bonds (distance) P-C4' energy: -98.552 flat angles C4'-P-C4' energy: -138.581 flat angles P-C4'-P energy: -86.623 tors. eta vs tors. theta energy: -198.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -2282.597262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.597262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.597262 (E_RNA) where: Base-Base interactions energy: -1678.562 where: short stacking energy: -632.970 Base-Backbone interact. energy: 1.405 local terms energy: -605.440447 where: bonds (distance) C4'-P energy: -103.428 bonds (distance) P-C4' energy: -108.263 flat angles C4'-P-C4' energy: -120.828 flat angles P-C4'-P energy: -87.689 tors. eta vs tors. theta energy: -185.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1974.181162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.181162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.181162 (E_RNA) where: Base-Base interactions energy: -1400.009 where: short stacking energy: -553.472 Base-Backbone interact. energy: -1.452 local terms energy: -572.719801 where: bonds (distance) C4'-P energy: -90.542 bonds (distance) P-C4' energy: -101.680 flat angles C4'-P-C4' energy: -136.339 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -155.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1745.342559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.342559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.342559 (E_RNA) where: Base-Base interactions energy: -1211.811 where: short stacking energy: -485.904 Base-Backbone interact. energy: -0.548 local terms energy: -532.983857 where: bonds (distance) C4'-P energy: -89.872 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -128.819 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -139.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2712.589584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.589584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.589584 (E_RNA) where: Base-Base interactions energy: -1946.936 where: short stacking energy: -754.032 Base-Backbone interact. energy: -2.197 local terms energy: -763.456889 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -128.489 flat angles C4'-P-C4' energy: -152.999 flat angles P-C4'-P energy: -114.507 tors. eta vs tors. theta energy: -229.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2637.901363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.901363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.901363 (E_RNA) where: Base-Base interactions energy: -1937.234 where: short stacking energy: -737.115 Base-Backbone interact. energy: -1.698 local terms energy: -698.969389 where: bonds (distance) C4'-P energy: -117.752 bonds (distance) P-C4' energy: -116.710 flat angles C4'-P-C4' energy: -140.853 flat angles P-C4'-P energy: -109.713 tors. eta vs tors. theta energy: -213.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2605.486187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.486187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.486187 (E_RNA) where: Base-Base interactions energy: -1937.925 where: short stacking energy: -754.756 Base-Backbone interact. energy: -2.761 local terms energy: -664.800382 where: bonds (distance) C4'-P energy: -114.525 bonds (distance) P-C4' energy: -116.027 flat angles C4'-P-C4' energy: -136.003 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: -215.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2577.720870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.720870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.720870 (E_RNA) where: Base-Base interactions energy: -1878.781 where: short stacking energy: -713.355 Base-Backbone interact. energy: 0.657 local terms energy: -699.596727 where: bonds (distance) C4'-P energy: -113.704 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -146.457 flat angles P-C4'-P energy: -99.072 tors. eta vs tors. theta energy: -217.865 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: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2479.851859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.851859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.851859 (E_RNA) where: Base-Base interactions energy: -1814.885 where: short stacking energy: -702.162 Base-Backbone interact. energy: 1.054 local terms energy: -666.020335 where: bonds (distance) C4'-P energy: -120.722 bonds (distance) P-C4' energy: -103.168 flat angles C4'-P-C4' energy: -145.473 flat angles P-C4'-P energy: -88.305 tors. eta vs tors. theta energy: -208.352 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: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2395.063687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.063687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.063687 (E_RNA) where: Base-Base interactions energy: -1753.363 where: short stacking energy: -680.724 Base-Backbone interact. energy: 0.300 local terms energy: -641.999945 where: bonds (distance) C4'-P energy: -97.079 bonds (distance) P-C4' energy: -98.687 flat angles C4'-P-C4' energy: -145.212 flat angles P-C4'-P energy: -91.760 tors. eta vs tors. theta energy: -209.262 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: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2399.413572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.413572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.413572 (E_RNA) where: Base-Base interactions energy: -1757.969 where: short stacking energy: -675.486 Base-Backbone interact. energy: 0.723 local terms energy: -642.167740 where: bonds (distance) C4'-P energy: -117.374 bonds (distance) P-C4' energy: -101.280 flat angles C4'-P-C4' energy: -134.325 flat angles P-C4'-P energy: -86.235 tors. eta vs tors. theta energy: -202.954 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: 420 Temperature: 1.250000 Total energy: -2273.716398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.716398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.716398 (E_RNA) where: Base-Base interactions energy: -1655.628 where: short stacking energy: -634.990 Base-Backbone interact. energy: -1.196 local terms energy: -616.892116 where: bonds (distance) C4'-P energy: -105.001 bonds (distance) P-C4' energy: -108.576 flat angles C4'-P-C4' energy: -134.609 flat angles P-C4'-P energy: -77.675 tors. eta vs tors. theta energy: -191.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1966.148173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.148173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.148173 (E_RNA) where: Base-Base interactions energy: -1421.781 where: short stacking energy: -557.211 Base-Backbone interact. energy: 1.570 local terms energy: -545.937029 where: bonds (distance) C4'-P energy: -101.559 bonds (distance) P-C4' energy: -98.910 flat angles C4'-P-C4' energy: -122.304 flat angles P-C4'-P energy: -74.444 tors. eta vs tors. theta energy: -148.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1717.585112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.585112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.585112 (E_RNA) where: Base-Base interactions energy: -1230.613 where: short stacking energy: -483.425 Base-Backbone interact. energy: 0.119 local terms energy: -487.090911 where: bonds (distance) C4'-P energy: -96.672 bonds (distance) P-C4' energy: -89.891 flat angles C4'-P-C4' energy: -123.539 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: -123.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2717.774095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.774095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.774095 (E_RNA) where: Base-Base interactions energy: -1973.765 where: short stacking energy: -761.113 Base-Backbone interact. energy: -0.724 local terms energy: -743.285607 where: bonds (distance) C4'-P energy: -119.856 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -149.318 flat angles P-C4'-P energy: -115.150 tors. eta vs tors. theta energy: -227.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2594.099062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.099062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.099062 (E_RNA) where: Base-Base interactions energy: -1905.438 where: short stacking energy: -745.313 Base-Backbone interact. energy: -1.392 local terms energy: -687.268683 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -113.666 flat angles C4'-P-C4' energy: -147.036 flat angles P-C4'-P energy: -103.168 tors. eta vs tors. theta energy: -211.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2599.738812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.738812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.738812 (E_RNA) where: Base-Base interactions energy: -1913.858 where: short stacking energy: -726.646 Base-Backbone interact. energy: -2.025 local terms energy: -683.855864 where: bonds (distance) C4'-P energy: -111.026 bonds (distance) P-C4' energy: -118.819 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -94.235 tors. eta vs tors. theta energy: -217.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2564.260333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.260333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.260333 (E_RNA) where: Base-Base interactions energy: -1855.798 where: short stacking energy: -727.967 Base-Backbone interact. energy: 0.345 local terms energy: -708.806990 where: bonds (distance) C4'-P energy: -114.909 bonds (distance) P-C4' energy: -118.590 flat angles C4'-P-C4' energy: -150.514 flat angles P-C4'-P energy: -102.593 tors. eta vs tors. theta energy: -222.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2477.828945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.828945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.828945 (E_RNA) where: Base-Base interactions energy: -1791.340 where: short stacking energy: -685.447 Base-Backbone interact. energy: -0.441 local terms energy: -686.047976 where: bonds (distance) C4'-P energy: -122.874 bonds (distance) P-C4' energy: -116.907 flat angles C4'-P-C4' energy: -153.333 flat angles P-C4'-P energy: -91.015 tors. eta vs tors. theta energy: -201.919 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2410.926676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.926676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.926676 (E_RNA) where: Base-Base interactions energy: -1745.525 where: short stacking energy: -680.581 Base-Backbone interact. energy: 2.100 local terms energy: -667.501427 where: bonds (distance) C4'-P energy: -112.589 bonds (distance) P-C4' energy: -103.464 flat angles C4'-P-C4' energy: -143.597 flat angles P-C4'-P energy: -105.829 tors. eta vs tors. theta energy: -202.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2358.721699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.721699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.721699 (E_RNA) where: Base-Base interactions energy: -1750.961 where: short stacking energy: -679.918 Base-Backbone interact. energy: 2.371 local terms energy: -610.131392 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -96.825 flat angles C4'-P-C4' energy: -118.009 flat angles P-C4'-P energy: -84.499 tors. eta vs tors. theta energy: -198.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -2285.869482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.869482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.869482 (E_RNA) where: Base-Base interactions energy: -1666.564 where: short stacking energy: -669.769 Base-Backbone interact. energy: -1.733 local terms energy: -617.572128 where: bonds (distance) C4'-P energy: -114.306 bonds (distance) P-C4' energy: -84.501 flat angles C4'-P-C4' energy: -143.148 flat angles P-C4'-P energy: -78.856 tors. eta vs tors. theta energy: -196.761 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: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1980.073845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.073845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.073845 (E_RNA) where: Base-Base interactions energy: -1428.046 where: short stacking energy: -546.128 Base-Backbone interact. energy: -1.431 local terms energy: -550.596163 where: bonds (distance) C4'-P energy: -85.985 bonds (distance) P-C4' energy: -102.225 flat angles C4'-P-C4' energy: -122.976 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -163.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1779.628725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.628725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.628725 (E_RNA) where: Base-Base interactions energy: -1264.715 where: short stacking energy: -508.498 Base-Backbone interact. energy: -1.356 local terms energy: -513.557965 where: bonds (distance) C4'-P energy: -84.546 bonds (distance) P-C4' energy: -106.325 flat angles C4'-P-C4' energy: -109.346 flat angles P-C4'-P energy: -69.627 tors. eta vs tors. theta energy: -143.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2713.357893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.357893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.357893 (E_RNA) where: Base-Base interactions energy: -1985.143 where: short stacking energy: -759.187 Base-Backbone interact. energy: -1.472 local terms energy: -726.743283 where: bonds (distance) C4'-P energy: -128.744 bonds (distance) P-C4' energy: -121.438 flat angles C4'-P-C4' energy: -144.997 flat angles P-C4'-P energy: -103.688 tors. eta vs tors. theta energy: -227.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2612.488336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.488336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.488336 (E_RNA) where: Base-Base interactions energy: -1912.634 where: short stacking energy: -742.156 Base-Backbone interact. energy: -1.553 local terms energy: -698.300529 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -123.204 flat angles C4'-P-C4' energy: -146.671 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -213.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2598.447822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.447822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.447822 (E_RNA) where: Base-Base interactions energy: -1905.779 where: short stacking energy: -726.621 Base-Backbone interact. energy: -1.047 local terms energy: -691.621596 where: bonds (distance) C4'-P energy: -122.525 bonds (distance) P-C4' energy: -119.290 flat angles C4'-P-C4' energy: -139.066 flat angles P-C4'-P energy: -96.649 tors. eta vs tors. theta energy: -214.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2535.766354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.766354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.766354 (E_RNA) where: Base-Base interactions energy: -1831.011 where: short stacking energy: -700.031 Base-Backbone interact. energy: 7.725 local terms energy: -712.481032 where: bonds (distance) C4'-P energy: -130.010 bonds (distance) P-C4' energy: -128.655 flat angles C4'-P-C4' energy: -138.758 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -220.080 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: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2471.619931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.619931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.619931 (E_RNA) where: Base-Base interactions energy: -1796.124 where: short stacking energy: -705.639 Base-Backbone interact. energy: 1.417 local terms energy: -676.913030 where: bonds (distance) C4'-P energy: -117.798 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -143.539 flat angles P-C4'-P energy: -97.285 tors. eta vs tors. theta energy: -206.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2419.396759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.396759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.396759 (E_RNA) where: Base-Base interactions energy: -1766.292 where: short stacking energy: -697.901 Base-Backbone interact. energy: -0.844 local terms energy: -652.260533 where: bonds (distance) C4'-P energy: -120.942 bonds (distance) P-C4' energy: -99.920 flat angles C4'-P-C4' energy: -138.302 flat angles P-C4'-P energy: -86.406 tors. eta vs tors. theta energy: -206.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2312.246819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.246819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.246819 (E_RNA) where: Base-Base interactions energy: -1731.312 where: short stacking energy: -666.826 Base-Backbone interact. energy: 0.816 local terms energy: -581.751063 where: bonds (distance) C4'-P energy: -83.463 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -128.719 flat angles P-C4'-P energy: -87.137 tors. eta vs tors. theta energy: -194.066 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: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -2305.388409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.388409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.388409 (E_RNA) where: Base-Base interactions energy: -1692.232 where: short stacking energy: -658.259 Base-Backbone interact. energy: -1.097 local terms energy: -612.059251 where: bonds (distance) C4'-P energy: -93.293 bonds (distance) P-C4' energy: -116.005 flat angles C4'-P-C4' energy: -126.234 flat angles P-C4'-P energy: -78.664 tors. eta vs tors. theta energy: -197.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -2016.054826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.054826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.054826 (E_RNA) where: Base-Base interactions energy: -1489.862 where: short stacking energy: -581.132 Base-Backbone interact. energy: -1.049 local terms energy: -525.144218 where: bonds (distance) C4'-P energy: -91.344 bonds (distance) P-C4' energy: -87.530 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -70.967 tors. eta vs tors. theta energy: -169.524 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: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1761.024842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.024842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.024842 (E_RNA) where: Base-Base interactions energy: -1254.801 where: short stacking energy: -503.278 Base-Backbone interact. energy: 0.275 local terms energy: -506.498838 where: bonds (distance) C4'-P energy: -96.237 bonds (distance) P-C4' energy: -93.154 flat angles C4'-P-C4' energy: -114.713 flat angles P-C4'-P energy: -60.446 tors. eta vs tors. theta energy: -141.949 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: 423 Temperature: 0.900000 Total energy: -2688.760721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.760721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.760721 (E_RNA) where: Base-Base interactions energy: -1944.014 where: short stacking energy: -758.777 Base-Backbone interact. energy: -1.657 local terms energy: -743.090568 where: bonds (distance) C4'-P energy: -135.515 bonds (distance) P-C4' energy: -137.634 flat angles C4'-P-C4' energy: -147.607 flat angles P-C4'-P energy: -96.047 tors. eta vs tors. theta energy: -226.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2606.438183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.438183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.438183 (E_RNA) where: Base-Base interactions energy: -1914.026 where: short stacking energy: -747.024 Base-Backbone interact. energy: 1.493 local terms energy: -693.905266 where: bonds (distance) C4'-P energy: -126.048 bonds (distance) P-C4' energy: -109.524 flat angles C4'-P-C4' energy: -141.875 flat angles P-C4'-P energy: -94.277 tors. eta vs tors. theta energy: -222.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2579.549693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.549693 (E_RNA) where: Base-Base interactions energy: -1886.247 where: short stacking energy: -716.619 Base-Backbone interact. energy: -0.417 local terms energy: -692.886161 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -141.538 flat angles P-C4'-P energy: -104.066 tors. eta vs tors. theta energy: -215.070 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: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2548.781265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.781265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.781265 (E_RNA) where: Base-Base interactions energy: -1884.522 where: short stacking energy: -732.640 Base-Backbone interact. energy: -1.221 local terms energy: -663.038559 where: bonds (distance) C4'-P energy: -96.634 bonds (distance) P-C4' energy: -120.241 flat angles C4'-P-C4' energy: -142.320 flat angles P-C4'-P energy: -81.797 tors. eta vs tors. theta energy: -222.045 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: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2494.752344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.752344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.752344 (E_RNA) where: Base-Base interactions energy: -1823.623 where: short stacking energy: -705.972 Base-Backbone interact. energy: 2.717 local terms energy: -673.846606 where: bonds (distance) C4'-P energy: -104.888 bonds (distance) P-C4' energy: -119.890 flat angles C4'-P-C4' energy: -142.124 flat angles P-C4'-P energy: -84.812 tors. eta vs tors. theta energy: -222.132 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: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2430.377383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.377383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.377383 (E_RNA) where: Base-Base interactions energy: -1760.973 where: short stacking energy: -681.129 Base-Backbone interact. energy: -0.183 local terms energy: -669.220639 where: bonds (distance) C4'-P energy: -114.912 bonds (distance) P-C4' energy: -123.141 flat angles C4'-P-C4' energy: -130.531 flat angles P-C4'-P energy: -101.921 tors. eta vs tors. theta energy: -198.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2295.434357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.434357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.434357 (E_RNA) where: Base-Base interactions energy: -1666.302 where: short stacking energy: -657.386 Base-Backbone interact. energy: -1.689 local terms energy: -627.444294 where: bonds (distance) C4'-P energy: -106.337 bonds (distance) P-C4' energy: -108.306 flat angles C4'-P-C4' energy: -141.763 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -192.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2257.775457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.775457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.775457 (E_RNA) where: Base-Base interactions energy: -1630.067 where: short stacking energy: -635.406 Base-Backbone interact. energy: -0.732 local terms energy: -626.976937 where: bonds (distance) C4'-P energy: -101.303 bonds (distance) P-C4' energy: -108.617 flat angles C4'-P-C4' energy: -137.550 flat angles P-C4'-P energy: -87.733 tors. eta vs tors. theta energy: -191.774 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: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -2029.297035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.297035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.297035 (E_RNA) where: Base-Base interactions energy: -1472.235 where: short stacking energy: -570.572 Base-Backbone interact. energy: -1.196 local terms energy: -555.865791 where: bonds (distance) C4'-P energy: -85.896 bonds (distance) P-C4' energy: -90.460 flat angles C4'-P-C4' energy: -122.303 flat angles P-C4'-P energy: -89.269 tors. eta vs tors. theta energy: -167.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1742.351653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.351653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.351653 (E_RNA) where: Base-Base interactions energy: -1212.177 where: short stacking energy: -478.677 Base-Backbone interact. energy: 3.640 local terms energy: -533.813996 where: bonds (distance) C4'-P energy: -113.208 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -114.103 flat angles P-C4'-P energy: -79.710 tors. eta vs tors. theta energy: -119.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2695.605954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.605954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.605954 (E_RNA) where: Base-Base interactions energy: -1936.466 where: short stacking energy: -759.232 Base-Backbone interact. energy: -5.066 local terms energy: -754.073764 where: bonds (distance) C4'-P energy: -125.565 bonds (distance) P-C4' energy: -136.891 flat angles C4'-P-C4' energy: -159.416 flat angles P-C4'-P energy: -108.332 tors. eta vs tors. theta energy: -223.869 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: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2645.632629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.632629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.632629 (E_RNA) where: Base-Base interactions energy: -1939.814 where: short stacking energy: -742.111 Base-Backbone interact. energy: 0.313 local terms energy: -706.132584 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -130.599 flat angles C4'-P-C4' energy: -147.390 flat angles P-C4'-P energy: -91.107 tors. eta vs tors. theta energy: -216.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2614.223439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.223439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.223439 (E_RNA) where: Base-Base interactions energy: -1889.230 where: short stacking energy: -736.797 Base-Backbone interact. energy: -0.487 local terms energy: -724.506418 where: bonds (distance) C4'-P energy: -128.334 bonds (distance) P-C4' energy: -131.697 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -104.705 tors. eta vs tors. theta energy: -221.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2568.156452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.156452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.156452 (E_RNA) where: Base-Base interactions energy: -1897.514 where: short stacking energy: -722.685 Base-Backbone interact. energy: -0.993 local terms energy: -669.649104 where: bonds (distance) C4'-P energy: -114.836 bonds (distance) P-C4' energy: -104.315 flat angles C4'-P-C4' energy: -145.495 flat angles P-C4'-P energy: -95.175 tors. eta vs tors. theta energy: -209.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2496.357432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.357432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.357432 (E_RNA) where: Base-Base interactions energy: -1809.133 where: short stacking energy: -698.882 Base-Backbone interact. energy: -0.268 local terms energy: -686.957059 where: bonds (distance) C4'-P energy: -113.836 bonds (distance) P-C4' energy: -125.879 flat angles C4'-P-C4' energy: -148.530 flat angles P-C4'-P energy: -92.443 tors. eta vs tors. theta energy: -206.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2401.315529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.315529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.315529 (E_RNA) where: Base-Base interactions energy: -1778.340 where: short stacking energy: -682.486 Base-Backbone interact. energy: 1.610 local terms energy: -624.585803 where: bonds (distance) C4'-P energy: -88.636 bonds (distance) P-C4' energy: -101.949 flat angles C4'-P-C4' energy: -130.330 flat angles P-C4'-P energy: -97.018 tors. eta vs tors. theta energy: -206.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2303.727818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.727818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.727818 (E_RNA) where: Base-Base interactions energy: -1692.063 where: short stacking energy: -648.985 Base-Backbone interact. energy: -0.411 local terms energy: -611.253870 where: bonds (distance) C4'-P energy: -101.866 bonds (distance) P-C4' energy: -101.093 flat angles C4'-P-C4' energy: -133.602 flat angles P-C4'-P energy: -82.607 tors. eta vs tors. theta energy: -192.086 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: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2270.981645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.981645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.981645 (E_RNA) where: Base-Base interactions energy: -1687.223 where: short stacking energy: -656.486 Base-Backbone interact. energy: -0.507 local terms energy: -583.252450 where: bonds (distance) C4'-P energy: -106.385 bonds (distance) P-C4' energy: -83.294 flat angles C4'-P-C4' energy: -127.670 flat angles P-C4'-P energy: -78.920 tors. eta vs tors. theta energy: -186.984 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: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -2036.073088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.073088 (E_RNA) where: Base-Base interactions energy: -1476.399 where: short stacking energy: -558.927 Base-Backbone interact. energy: 2.588 local terms energy: -562.262848 where: bonds (distance) C4'-P energy: -87.207 bonds (distance) P-C4' energy: -98.716 flat angles C4'-P-C4' energy: -120.028 flat angles P-C4'-P energy: -88.902 tors. eta vs tors. theta energy: -167.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1805.079100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.079100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.079100 (E_RNA) where: Base-Base interactions energy: -1273.682 where: short stacking energy: -502.080 Base-Backbone interact. energy: 6.233 local terms energy: -537.630944 where: bonds (distance) C4'-P energy: -82.219 bonds (distance) P-C4' energy: -114.323 flat angles C4'-P-C4' energy: -126.940 flat angles P-C4'-P energy: -70.157 tors. eta vs tors. theta energy: -143.993 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: 1, replica: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2731.957410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.957410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.957410 (E_RNA) where: Base-Base interactions energy: -2010.569 where: short stacking energy: -797.118 Base-Backbone interact. energy: -1.465 local terms energy: -719.922971 where: bonds (distance) C4'-P energy: -117.137 bonds (distance) P-C4' energy: -124.296 flat angles C4'-P-C4' energy: -144.878 flat angles P-C4'-P energy: -102.983 tors. eta vs tors. theta energy: -230.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2650.825169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.825169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.825169 (E_RNA) where: Base-Base interactions energy: -1958.080 where: short stacking energy: -750.343 Base-Backbone interact. energy: 7.949 local terms energy: -700.694388 where: bonds (distance) C4'-P energy: -117.721 bonds (distance) P-C4' energy: -122.318 flat angles C4'-P-C4' energy: -151.847 flat angles P-C4'-P energy: -90.069 tors. eta vs tors. theta energy: -218.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2608.907635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.907635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.907635 (E_RNA) where: Base-Base interactions energy: -1907.064 where: short stacking energy: -742.717 Base-Backbone interact. energy: -1.290 local terms energy: -700.553603 where: bonds (distance) C4'-P energy: -111.551 bonds (distance) P-C4' energy: -114.804 flat angles C4'-P-C4' energy: -152.270 flat angles P-C4'-P energy: -103.029 tors. eta vs tors. theta energy: -218.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2534.591724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.591724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.591724 (E_RNA) where: Base-Base interactions energy: -1841.059 where: short stacking energy: -716.354 Base-Backbone interact. energy: -2.640 local terms energy: -690.893516 where: bonds (distance) C4'-P energy: -108.750 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -147.956 flat angles P-C4'-P energy: -100.139 tors. eta vs tors. theta energy: -206.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2502.041714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.041714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.041714 (E_RNA) where: Base-Base interactions energy: -1840.711 where: short stacking energy: -692.673 Base-Backbone interact. energy: 5.262 local terms energy: -666.592774 where: bonds (distance) C4'-P energy: -110.963 bonds (distance) P-C4' energy: -108.581 flat angles C4'-P-C4' energy: -137.488 flat angles P-C4'-P energy: -97.989 tors. eta vs tors. theta energy: -211.572 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: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2428.177372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.177372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.177372 (E_RNA) where: Base-Base interactions energy: -1784.973 where: short stacking energy: -691.722 Base-Backbone interact. energy: 0.340 local terms energy: -643.544531 where: bonds (distance) C4'-P energy: -100.202 bonds (distance) P-C4' energy: -113.271 flat angles C4'-P-C4' energy: -137.856 flat angles P-C4'-P energy: -84.294 tors. eta vs tors. theta energy: -207.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2340.622303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.622303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.622303 (E_RNA) where: Base-Base interactions energy: -1691.756 where: short stacking energy: -681.125 Base-Backbone interact. energy: -0.666 local terms energy: -648.200245 where: bonds (distance) C4'-P energy: -100.078 bonds (distance) P-C4' energy: -118.983 flat angles C4'-P-C4' energy: -133.864 flat angles P-C4'-P energy: -93.339 tors. eta vs tors. theta energy: -201.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -2256.364033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.364033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.364033 (E_RNA) where: Base-Base interactions energy: -1660.703 where: short stacking energy: -650.249 Base-Backbone interact. energy: -1.834 local terms energy: -593.827325 where: bonds (distance) C4'-P energy: -94.930 bonds (distance) P-C4' energy: -113.605 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -72.398 tors. eta vs tors. theta energy: -190.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1971.040552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.040552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.040552 (E_RNA) where: Base-Base interactions energy: -1422.363 where: short stacking energy: -559.427 Base-Backbone interact. energy: -0.514 local terms energy: -548.163625 where: bonds (distance) C4'-P energy: -105.436 bonds (distance) P-C4' energy: -93.793 flat angles C4'-P-C4' energy: -124.473 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -153.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1731.704598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.704598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.704598 (E_RNA) where: Base-Base interactions energy: -1242.077 where: short stacking energy: -502.013 Base-Backbone interact. energy: -0.559 local terms energy: -489.068547 where: bonds (distance) C4'-P energy: -100.909 bonds (distance) P-C4' energy: -86.960 flat angles C4'-P-C4' energy: -94.774 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -128.528 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: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2693.328277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.328277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.328277 (E_RNA) where: Base-Base interactions energy: -1952.645 where: short stacking energy: -765.297 Base-Backbone interact. energy: -1.075 local terms energy: -739.608666 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -131.106 flat angles C4'-P-C4' energy: -153.567 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -228.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2621.015297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.015297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.015297 (E_RNA) where: Base-Base interactions energy: -1914.843 where: short stacking energy: -748.033 Base-Backbone interact. energy: -2.355 local terms energy: -703.817434 where: bonds (distance) C4'-P energy: -122.355 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -140.945 flat angles P-C4'-P energy: -105.154 tors. eta vs tors. theta energy: -221.089 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: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2597.178160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.178160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.178160 (E_RNA) where: Base-Base interactions energy: -1901.188 where: short stacking energy: -739.109 Base-Backbone interact. energy: 1.775 local terms energy: -697.765469 where: bonds (distance) C4'-P energy: -111.835 bonds (distance) P-C4' energy: -109.669 flat angles C4'-P-C4' energy: -142.122 flat angles P-C4'-P energy: -108.879 tors. eta vs tors. theta energy: -225.260 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: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2514.218880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.218880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.218880 (E_RNA) where: Base-Base interactions energy: -1820.740 where: short stacking energy: -705.125 Base-Backbone interact. energy: -0.481 local terms energy: -692.998248 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -114.881 flat angles C4'-P-C4' energy: -147.930 flat angles P-C4'-P energy: -100.496 tors. eta vs tors. theta energy: -217.799 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: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2501.492942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.492942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.492942 (E_RNA) where: Base-Base interactions energy: -1823.060 where: short stacking energy: -693.850 Base-Backbone interact. energy: -2.628 local terms energy: -675.804447 where: bonds (distance) C4'-P energy: -125.783 bonds (distance) P-C4' energy: -120.230 flat angles C4'-P-C4' energy: -131.869 flat angles P-C4'-P energy: -92.695 tors. eta vs tors. theta energy: -205.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2403.240460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.240460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.240460 (E_RNA) where: Base-Base interactions energy: -1783.519 where: short stacking energy: -685.041 Base-Backbone interact. energy: -0.898 local terms energy: -618.823246 where: bonds (distance) C4'-P energy: -97.553 bonds (distance) P-C4' energy: -90.117 flat angles C4'-P-C4' energy: -141.499 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -207.612 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: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2319.011482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.011482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.011482 (E_RNA) where: Base-Base interactions energy: -1721.020 where: short stacking energy: -669.493 Base-Backbone interact. energy: -0.931 local terms energy: -597.060900 where: bonds (distance) C4'-P energy: -85.767 bonds (distance) P-C4' energy: -94.172 flat angles C4'-P-C4' energy: -126.436 flat angles P-C4'-P energy: -96.383 tors. eta vs tors. theta energy: -194.303 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: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2256.922857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.922857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.922857 (E_RNA) where: Base-Base interactions energy: -1651.357 where: short stacking energy: -636.031 Base-Backbone interact. energy: 4.652 local terms energy: -610.218143 where: bonds (distance) C4'-P energy: -115.061 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -123.890 flat angles P-C4'-P energy: -82.553 tors. eta vs tors. theta energy: -189.613 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: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1987.327454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.327454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.327454 (E_RNA) where: Base-Base interactions energy: -1469.264 where: short stacking energy: -554.988 Base-Backbone interact. energy: 2.773 local terms energy: -520.836051 where: bonds (distance) C4'-P energy: -94.377 bonds (distance) P-C4' energy: -90.816 flat angles C4'-P-C4' energy: -108.797 flat angles P-C4'-P energy: -76.749 tors. eta vs tors. theta energy: -150.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1630.492601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.492601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.492601 (E_RNA) where: Base-Base interactions energy: -1147.310 where: short stacking energy: -462.192 Base-Backbone interact. energy: -1.443 local terms energy: -481.739838 where: bonds (distance) C4'-P energy: -102.067 bonds (distance) P-C4' energy: -82.313 flat angles C4'-P-C4' energy: -108.591 flat angles P-C4'-P energy: -78.338 tors. eta vs tors. theta energy: -110.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2694.188279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.188279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.188279 (E_RNA) where: Base-Base interactions energy: -1936.334 where: short stacking energy: -751.300 Base-Backbone interact. energy: -2.021 local terms energy: -755.833393 where: bonds (distance) C4'-P energy: -131.555 bonds (distance) P-C4' energy: -134.165 flat angles C4'-P-C4' energy: -157.109 flat angles P-C4'-P energy: -112.602 tors. eta vs tors. theta energy: -220.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2625.096978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.096978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.096978 (E_RNA) where: Base-Base interactions energy: -1907.573 where: short stacking energy: -736.221 Base-Backbone interact. energy: -1.118 local terms energy: -716.406820 where: bonds (distance) C4'-P energy: -126.138 bonds (distance) P-C4' energy: -123.113 flat angles C4'-P-C4' energy: -138.280 flat angles P-C4'-P energy: -106.380 tors. eta vs tors. theta energy: -222.497 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: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2589.382908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.382908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.382908 (E_RNA) where: Base-Base interactions energy: -1890.344 where: short stacking energy: -734.318 Base-Backbone interact. energy: -1.310 local terms energy: -697.729030 where: bonds (distance) C4'-P energy: -118.386 bonds (distance) P-C4' energy: -114.214 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -102.062 tors. eta vs tors. theta energy: -221.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2515.849724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.849724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.849724 (E_RNA) where: Base-Base interactions energy: -1854.033 where: short stacking energy: -725.396 Base-Backbone interact. energy: 1.642 local terms energy: -663.459380 where: bonds (distance) C4'-P energy: -107.743 bonds (distance) P-C4' energy: -108.853 flat angles C4'-P-C4' energy: -139.762 flat angles P-C4'-P energy: -95.588 tors. eta vs tors. theta energy: -211.513 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: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2474.147192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.147192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.147192 (E_RNA) where: Base-Base interactions energy: -1808.468 where: short stacking energy: -706.735 Base-Backbone interact. energy: -2.000 local terms energy: -663.679325 where: bonds (distance) C4'-P energy: -112.922 bonds (distance) P-C4' energy: -116.073 flat angles C4'-P-C4' energy: -137.882 flat angles P-C4'-P energy: -85.611 tors. eta vs tors. theta energy: -211.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2413.888924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.888924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.888924 (E_RNA) where: Base-Base interactions energy: -1773.085 where: short stacking energy: -688.309 Base-Backbone interact. energy: -1.010 local terms energy: -639.793611 where: bonds (distance) C4'-P energy: -99.309 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -96.467 tors. eta vs tors. theta energy: -202.683 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: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2397.885524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.885524 (E_RNA) where: Base-Base interactions energy: -1741.794 where: short stacking energy: -675.979 Base-Backbone interact. energy: 0.215 local terms energy: -656.306243 where: bonds (distance) C4'-P energy: -106.120 bonds (distance) P-C4' energy: -119.967 flat angles C4'-P-C4' energy: -133.199 flat angles P-C4'-P energy: -98.283 tors. eta vs tors. theta energy: -198.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2304.317583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.317583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.317583 (E_RNA) where: Base-Base interactions energy: -1684.191 where: short stacking energy: -651.433 Base-Backbone interact. energy: -1.261 local terms energy: -618.865583 where: bonds (distance) C4'-P energy: -104.503 bonds (distance) P-C4' energy: -104.365 flat angles C4'-P-C4' energy: -129.717 flat angles P-C4'-P energy: -81.967 tors. eta vs tors. theta energy: -198.314 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: 427 Temperature: 1.300000 Total energy: -1988.074044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.074044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.074044 (E_RNA) where: Base-Base interactions energy: -1437.229 where: short stacking energy: -564.869 Base-Backbone interact. energy: 3.447 local terms energy: -554.291778 where: bonds (distance) C4'-P energy: -97.381 bonds (distance) P-C4' energy: -86.374 flat angles C4'-P-C4' energy: -123.892 flat angles P-C4'-P energy: -77.895 tors. eta vs tors. theta energy: -168.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1666.050561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.050561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.050561 (E_RNA) where: Base-Base interactions energy: -1200.376 where: short stacking energy: -475.373 Base-Backbone interact. energy: 4.484 local terms energy: -470.158491 where: bonds (distance) C4'-P energy: -88.082 bonds (distance) P-C4' energy: -87.037 flat angles C4'-P-C4' energy: -97.986 flat angles P-C4'-P energy: -68.682 tors. eta vs tors. theta energy: -128.372 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: 428 Temperature: 0.900000 Total energy: -2693.336851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.336851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.336851 (E_RNA) where: Base-Base interactions energy: -1966.767 where: short stacking energy: -774.379 Base-Backbone interact. energy: -1.722 local terms energy: -724.848151 where: bonds (distance) C4'-P energy: -122.183 bonds (distance) P-C4' energy: -122.689 flat angles C4'-P-C4' energy: -147.109 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -227.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2631.857632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.857632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.857632 (E_RNA) where: Base-Base interactions energy: -1923.923 where: short stacking energy: -740.979 Base-Backbone interact. energy: -1.082 local terms energy: -706.852657 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -121.738 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -105.700 tors. eta vs tors. theta energy: -215.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2592.567471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.567471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.567471 (E_RNA) where: Base-Base interactions energy: -1895.778 where: short stacking energy: -726.533 Base-Backbone interact. energy: -1.228 local terms energy: -695.561221 where: bonds (distance) C4'-P energy: -125.714 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -138.279 flat angles P-C4'-P energy: -97.980 tors. eta vs tors. theta energy: -213.490 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: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2549.323314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.323314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.323314 (E_RNA) where: Base-Base interactions energy: -1864.675 where: short stacking energy: -716.550 Base-Backbone interact. energy: -0.616 local terms energy: -684.032476 where: bonds (distance) C4'-P energy: -121.213 bonds (distance) P-C4' energy: -108.204 flat angles C4'-P-C4' energy: -137.801 flat angles P-C4'-P energy: -106.847 tors. eta vs tors. theta energy: -209.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2499.402584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.402584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.402584 (E_RNA) where: Base-Base interactions energy: -1823.178 where: short stacking energy: -710.547 Base-Backbone interact. energy: -0.749 local terms energy: -675.475573 where: bonds (distance) C4'-P energy: -102.749 bonds (distance) P-C4' energy: -131.248 flat angles C4'-P-C4' energy: -140.018 flat angles P-C4'-P energy: -81.244 tors. eta vs tors. theta energy: -220.218 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: 428 Temperature: 1.150000 Total energy: -2419.678400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.678400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.678400 (E_RNA) where: Base-Base interactions energy: -1775.007 where: short stacking energy: -695.636 Base-Backbone interact. energy: 0.421 local terms energy: -645.092301 where: bonds (distance) C4'-P energy: -111.952 bonds (distance) P-C4' energy: -103.103 flat angles C4'-P-C4' energy: -133.116 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -201.412 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: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2298.231113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.231113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.231113 (E_RNA) where: Base-Base interactions energy: -1650.331 where: short stacking energy: -663.533 Base-Backbone interact. energy: 0.760 local terms energy: -648.660259 where: bonds (distance) C4'-P energy: -103.862 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -103.857 tors. eta vs tors. theta energy: -203.954 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: 428 Temperature: 1.250000 Total energy: -2330.326975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.326975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.326975 (E_RNA) where: Base-Base interactions energy: -1715.250 where: short stacking energy: -667.502 Base-Backbone interact. energy: 2.983 local terms energy: -618.059982 where: bonds (distance) C4'-P energy: -101.968 bonds (distance) P-C4' energy: -109.526 flat angles C4'-P-C4' energy: -126.357 flat angles P-C4'-P energy: -91.149 tors. eta vs tors. theta energy: -189.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -2031.417812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.417812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.417812 (E_RNA) where: Base-Base interactions energy: -1510.236 where: short stacking energy: -591.710 Base-Backbone interact. energy: 0.032 local terms energy: -521.213945 where: bonds (distance) C4'-P energy: -72.703 bonds (distance) P-C4' energy: -91.602 flat angles C4'-P-C4' energy: -119.974 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -175.317 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: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1739.211428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.211428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.211428 (E_RNA) where: Base-Base interactions energy: -1247.873 where: short stacking energy: -493.371 Base-Backbone interact. energy: 2.822 local terms energy: -494.160272 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -98.955 flat angles C4'-P-C4' energy: -120.848 flat angles P-C4'-P energy: -64.971 tors. eta vs tors. theta energy: -133.463 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: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2689.276635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.276635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.276635 (E_RNA) where: Base-Base interactions energy: -1976.393 where: short stacking energy: -780.073 Base-Backbone interact. energy: -1.819 local terms energy: -711.063981 where: bonds (distance) C4'-P energy: -114.809 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -152.904 flat angles P-C4'-P energy: -97.970 tors. eta vs tors. theta energy: -224.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2618.367463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.367463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.367463 (E_RNA) where: Base-Base interactions energy: -1917.711 where: short stacking energy: -749.764 Base-Backbone interact. energy: -0.298 local terms energy: -700.358166 where: bonds (distance) C4'-P energy: -121.134 bonds (distance) P-C4' energy: -118.057 flat angles C4'-P-C4' energy: -143.972 flat angles P-C4'-P energy: -98.311 tors. eta vs tors. theta energy: -218.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2585.063941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.063941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.063941 (E_RNA) where: Base-Base interactions energy: -1879.525 where: short stacking energy: -720.086 Base-Backbone interact. energy: 2.143 local terms energy: -707.681980 where: bonds (distance) C4'-P energy: -121.598 bonds (distance) P-C4' energy: -110.884 flat angles C4'-P-C4' energy: -138.342 flat angles P-C4'-P energy: -113.639 tors. eta vs tors. theta energy: -223.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2527.215849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.215849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.215849 (E_RNA) where: Base-Base interactions energy: -1869.175 where: short stacking energy: -715.543 Base-Backbone interact. energy: -0.372 local terms energy: -657.669456 where: bonds (distance) C4'-P energy: -103.802 bonds (distance) P-C4' energy: -113.049 flat angles C4'-P-C4' energy: -134.057 flat angles P-C4'-P energy: -100.939 tors. eta vs tors. theta energy: -205.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2509.636528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.636528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.636528 (E_RNA) where: Base-Base interactions energy: -1838.246 where: short stacking energy: -709.265 Base-Backbone interact. energy: -0.789 local terms energy: -670.600825 where: bonds (distance) C4'-P energy: -102.869 bonds (distance) P-C4' energy: -113.894 flat angles C4'-P-C4' energy: -141.610 flat angles P-C4'-P energy: -100.399 tors. eta vs tors. theta energy: -211.828 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: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2389.807961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.807961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.807961 (E_RNA) where: Base-Base interactions energy: -1747.598 where: short stacking energy: -675.524 Base-Backbone interact. energy: -0.875 local terms energy: -641.334484 where: bonds (distance) C4'-P energy: -98.113 bonds (distance) P-C4' energy: -99.207 flat angles C4'-P-C4' energy: -141.142 flat angles P-C4'-P energy: -102.645 tors. eta vs tors. theta energy: -200.227 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: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2280.314858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.314858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.314858 (E_RNA) where: Base-Base interactions energy: -1701.608 where: short stacking energy: -668.181 Base-Backbone interact. energy: -0.414 local terms energy: -578.292963 where: bonds (distance) C4'-P energy: -100.123 bonds (distance) P-C4' energy: -79.242 flat angles C4'-P-C4' energy: -117.216 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -195.327 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: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2306.734499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.734499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.734499 (E_RNA) where: Base-Base interactions energy: -1731.872 where: short stacking energy: -651.971 Base-Backbone interact. energy: 0.628 local terms energy: -575.490644 where: bonds (distance) C4'-P energy: -89.716 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -132.812 flat angles P-C4'-P energy: -72.808 tors. eta vs tors. theta energy: -187.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1933.170665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.170665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.170665 (E_RNA) where: Base-Base interactions energy: -1405.227 where: short stacking energy: -544.791 Base-Backbone interact. energy: -0.749 local terms energy: -527.194553 where: bonds (distance) C4'-P energy: -87.378 bonds (distance) P-C4' energy: -94.311 flat angles C4'-P-C4' energy: -109.911 flat angles P-C4'-P energy: -87.493 tors. eta vs tors. theta energy: -148.103 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: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1749.013411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.013411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.013411 (E_RNA) where: Base-Base interactions energy: -1198.050 where: short stacking energy: -482.723 Base-Backbone interact. energy: -3.148 local terms energy: -547.815377 where: bonds (distance) C4'-P energy: -93.135 bonds (distance) P-C4' energy: -115.849 flat angles C4'-P-C4' energy: -115.140 flat angles P-C4'-P energy: -84.641 tors. eta vs tors. theta energy: -139.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2712.693867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.693867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.693867 (E_RNA) where: Base-Base interactions energy: -1978.150 where: short stacking energy: -781.140 Base-Backbone interact. energy: -2.361 local terms energy: -732.182369 where: bonds (distance) C4'-P energy: -120.687 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -148.800 flat angles P-C4'-P energy: -111.197 tors. eta vs tors. theta energy: -227.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2629.370288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.370288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.370288 (E_RNA) where: Base-Base interactions energy: -1908.616 where: short stacking energy: -752.709 Base-Backbone interact. energy: -1.356 local terms energy: -719.398688 where: bonds (distance) C4'-P energy: -110.094 bonds (distance) P-C4' energy: -128.846 flat angles C4'-P-C4' energy: -146.938 flat angles P-C4'-P energy: -110.006 tors. eta vs tors. theta energy: -223.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2605.966732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.966732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.966732 (E_RNA) where: Base-Base interactions energy: -1916.804 where: short stacking energy: -750.382 Base-Backbone interact. energy: -1.641 local terms energy: -687.522203 where: bonds (distance) C4'-P energy: -116.217 bonds (distance) P-C4' energy: -111.990 flat angles C4'-P-C4' energy: -142.537 flat angles P-C4'-P energy: -97.184 tors. eta vs tors. theta energy: -219.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2545.248619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.248619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.248619 (E_RNA) where: Base-Base interactions energy: -1874.267 where: short stacking energy: -720.626 Base-Backbone interact. energy: 2.276 local terms energy: -673.257343 where: bonds (distance) C4'-P energy: -112.642 bonds (distance) P-C4' energy: -104.074 flat angles C4'-P-C4' energy: -151.340 flat angles P-C4'-P energy: -103.484 tors. eta vs tors. theta energy: -201.717 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: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2482.293388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.293388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.293388 (E_RNA) where: Base-Base interactions energy: -1815.402 where: short stacking energy: -690.720 Base-Backbone interact. energy: -1.946 local terms energy: -664.945598 where: bonds (distance) C4'-P energy: -94.523 bonds (distance) P-C4' energy: -119.094 flat angles C4'-P-C4' energy: -141.190 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -215.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2390.407605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.407605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.407605 (E_RNA) where: Base-Base interactions energy: -1741.298 where: short stacking energy: -664.179 Base-Backbone interact. energy: -1.411 local terms energy: -647.698972 where: bonds (distance) C4'-P energy: -113.495 bonds (distance) P-C4' energy: -105.756 flat angles C4'-P-C4' energy: -121.302 flat angles P-C4'-P energy: -95.446 tors. eta vs tors. theta energy: -211.700 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: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2360.583023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.583023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.583023 (E_RNA) where: Base-Base interactions energy: -1718.590 where: short stacking energy: -664.378 Base-Backbone interact. energy: -1.008 local terms energy: -640.984371 where: bonds (distance) C4'-P energy: -101.898 bonds (distance) P-C4' energy: -110.055 flat angles C4'-P-C4' energy: -138.007 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -202.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2222.636897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.636897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.636897 (E_RNA) where: Base-Base interactions energy: -1622.702 where: short stacking energy: -628.070 Base-Backbone interact. energy: 3.133 local terms energy: -603.067554 where: bonds (distance) C4'-P energy: -94.098 bonds (distance) P-C4' energy: -105.181 flat angles C4'-P-C4' energy: -125.865 flat angles P-C4'-P energy: -82.376 tors. eta vs tors. theta energy: -195.547 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: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1959.288048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.288048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.288048 (E_RNA) where: Base-Base interactions energy: -1429.927 where: short stacking energy: -534.451 Base-Backbone interact. energy: 1.073 local terms energy: -530.434362 where: bonds (distance) C4'-P energy: -97.734 bonds (distance) P-C4' energy: -87.279 flat angles C4'-P-C4' energy: -122.319 flat angles P-C4'-P energy: -66.447 tors. eta vs tors. theta energy: -156.656 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: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1763.198955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.198955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.198955 (E_RNA) where: Base-Base interactions energy: -1233.428 where: short stacking energy: -484.963 Base-Backbone interact. energy: 1.081 local terms energy: -530.851877 where: bonds (distance) C4'-P energy: -87.329 bonds (distance) P-C4' energy: -111.664 flat angles C4'-P-C4' energy: -115.941 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: -138.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2691.857961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.857961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.857961 (E_RNA) where: Base-Base interactions energy: -1959.312 where: short stacking energy: -767.779 Base-Backbone interact. energy: -0.050 local terms energy: -732.495779 where: bonds (distance) C4'-P energy: -134.694 bonds (distance) P-C4' energy: -118.673 flat angles C4'-P-C4' energy: -148.988 flat angles P-C4'-P energy: -103.507 tors. eta vs tors. theta energy: -226.634 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: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2620.516197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.516197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.516197 (E_RNA) where: Base-Base interactions energy: -1906.141 where: short stacking energy: -738.415 Base-Backbone interact. energy: 2.286 local terms energy: -716.661439 where: bonds (distance) C4'-P energy: -120.411 bonds (distance) P-C4' energy: -130.902 flat angles C4'-P-C4' energy: -154.922 flat angles P-C4'-P energy: -89.676 tors. eta vs tors. theta energy: -220.750 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: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2607.651822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.651822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.651822 (E_RNA) where: Base-Base interactions energy: -1920.075 where: short stacking energy: -744.817 Base-Backbone interact. energy: -1.376 local terms energy: -686.200831 where: bonds (distance) C4'-P energy: -110.418 bonds (distance) P-C4' energy: -120.694 flat angles C4'-P-C4' energy: -141.972 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -217.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2541.792402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.792402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.792402 (E_RNA) where: Base-Base interactions energy: -1870.845 where: short stacking energy: -719.489 Base-Backbone interact. energy: -1.061 local terms energy: -669.885654 where: bonds (distance) C4'-P energy: -126.601 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -139.570 flat angles P-C4'-P energy: -98.864 tors. eta vs tors. theta energy: -207.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2499.616409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.616409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.616409 (E_RNA) where: Base-Base interactions energy: -1832.366 where: short stacking energy: -719.366 Base-Backbone interact. energy: -1.180 local terms energy: -666.069857 where: bonds (distance) C4'-P energy: -84.750 bonds (distance) P-C4' energy: -122.209 flat angles C4'-P-C4' energy: -145.903 flat angles P-C4'-P energy: -97.173 tors. eta vs tors. theta energy: -216.034 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: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2409.028699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.028699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.028699 (E_RNA) where: Base-Base interactions energy: -1771.354 where: short stacking energy: -684.918 Base-Backbone interact. energy: -1.991 local terms energy: -635.683704 where: bonds (distance) C4'-P energy: -91.895 bonds (distance) P-C4' energy: -112.475 flat angles C4'-P-C4' energy: -143.739 flat angles P-C4'-P energy: -89.423 tors. eta vs tors. theta energy: -198.152 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: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2354.998560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.998560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.998560 (E_RNA) where: Base-Base interactions energy: -1706.096 where: short stacking energy: -652.608 Base-Backbone interact. energy: 0.846 local terms energy: -649.748616 where: bonds (distance) C4'-P energy: -101.507 bonds (distance) P-C4' energy: -106.825 flat angles C4'-P-C4' energy: -136.137 flat angles P-C4'-P energy: -105.716 tors. eta vs tors. theta energy: -199.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2262.100362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.100362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.100362 (E_RNA) where: Base-Base interactions energy: -1629.549 where: short stacking energy: -663.461 Base-Backbone interact. energy: -2.665 local terms energy: -629.886828 where: bonds (distance) C4'-P energy: -108.308 bonds (distance) P-C4' energy: -107.839 flat angles C4'-P-C4' energy: -119.342 flat angles P-C4'-P energy: -98.817 tors. eta vs tors. theta energy: -195.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1981.246400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.246400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.246400 (E_RNA) where: Base-Base interactions energy: -1427.563 where: short stacking energy: -546.175 Base-Backbone interact. energy: -2.545 local terms energy: -551.137621 where: bonds (distance) C4'-P energy: -100.073 bonds (distance) P-C4' energy: -107.339 flat angles C4'-P-C4' energy: -114.613 flat angles P-C4'-P energy: -72.681 tors. eta vs tors. theta energy: -156.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1778.421202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.421202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.421202 (E_RNA) where: Base-Base interactions energy: -1265.076 where: short stacking energy: -487.535 Base-Backbone interact. energy: 1.701 local terms energy: -515.046071 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -103.869 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -128.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2682.072263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.072263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.072263 (E_RNA) where: Base-Base interactions energy: -1970.415 where: short stacking energy: -764.025 Base-Backbone interact. energy: 1.344 local terms energy: -713.000718 where: bonds (distance) C4'-P energy: -119.709 bonds (distance) P-C4' energy: -110.667 flat angles C4'-P-C4' energy: -155.293 flat angles P-C4'-P energy: -98.469 tors. eta vs tors. theta energy: -228.863 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: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2611.091697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.091697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.091697 (E_RNA) where: Base-Base interactions energy: -1926.921 where: short stacking energy: -742.455 Base-Backbone interact. energy: -0.840 local terms energy: -683.330398 where: bonds (distance) C4'-P energy: -116.639 bonds (distance) P-C4' energy: -117.102 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -100.424 tors. eta vs tors. theta energy: -213.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2612.691239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.691239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.691239 (E_RNA) where: Base-Base interactions energy: -1915.505 where: short stacking energy: -752.402 Base-Backbone interact. energy: -0.756 local terms energy: -696.430640 where: bonds (distance) C4'-P energy: -120.655 bonds (distance) P-C4' energy: -115.138 flat angles C4'-P-C4' energy: -148.060 flat angles P-C4'-P energy: -94.259 tors. eta vs tors. theta energy: -218.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2546.086145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.086145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.086145 (E_RNA) where: Base-Base interactions energy: -1864.843 where: short stacking energy: -717.995 Base-Backbone interact. energy: -1.791 local terms energy: -679.452167 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -117.740 flat angles C4'-P-C4' energy: -137.870 flat angles P-C4'-P energy: -107.850 tors. eta vs tors. theta energy: -216.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2481.831385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.831385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.831385 (E_RNA) where: Base-Base interactions energy: -1813.015 where: short stacking energy: -713.440 Base-Backbone interact. energy: 0.694 local terms energy: -669.510463 where: bonds (distance) C4'-P energy: -112.477 bonds (distance) P-C4' energy: -107.862 flat angles C4'-P-C4' energy: -142.175 flat angles P-C4'-P energy: -90.713 tors. eta vs tors. theta energy: -216.282 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: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2383.996222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.996222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.996222 (E_RNA) where: Base-Base interactions energy: -1756.635 where: short stacking energy: -694.370 Base-Backbone interact. energy: -0.810 local terms energy: -626.551721 where: bonds (distance) C4'-P energy: -108.422 bonds (distance) P-C4' energy: -104.173 flat angles C4'-P-C4' energy: -132.260 flat angles P-C4'-P energy: -87.267 tors. eta vs tors. theta energy: -194.430 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: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2329.859468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.859468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.859468 (E_RNA) where: Base-Base interactions energy: -1710.918 where: short stacking energy: -675.143 Base-Backbone interact. energy: 0.323 local terms energy: -619.264561 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -96.624 flat angles C4'-P-C4' energy: -131.088 flat angles P-C4'-P energy: -103.474 tors. eta vs tors. theta energy: -186.246 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: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2234.151533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.151533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.151533 (E_RNA) where: Base-Base interactions energy: -1616.131 where: short stacking energy: -607.566 Base-Backbone interact. energy: -2.539 local terms energy: -615.482099 where: bonds (distance) C4'-P energy: -111.403 bonds (distance) P-C4' energy: -102.723 flat angles C4'-P-C4' energy: -128.785 flat angles P-C4'-P energy: -86.117 tors. eta vs tors. theta energy: -186.454 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: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1986.515800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.515800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.515800 (E_RNA) where: Base-Base interactions energy: -1442.453 where: short stacking energy: -559.747 Base-Backbone interact. energy: 2.907 local terms energy: -546.969857 where: bonds (distance) C4'-P energy: -103.106 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -111.792 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -162.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1798.243879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.243879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.243879 (E_RNA) where: Base-Base interactions energy: -1265.788 where: short stacking energy: -508.356 Base-Backbone interact. energy: -1.485 local terms energy: -530.971177 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -103.460 flat angles C4'-P-C4' energy: -109.967 flat angles P-C4'-P energy: -83.472 tors. eta vs tors. theta energy: -145.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2684.788475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.788475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.788475 (E_RNA) where: Base-Base interactions energy: -1940.426 where: short stacking energy: -757.330 Base-Backbone interact. energy: -0.596 local terms energy: -743.766502 where: bonds (distance) C4'-P energy: -120.894 bonds (distance) P-C4' energy: -129.340 flat angles C4'-P-C4' energy: -161.928 flat angles P-C4'-P energy: -108.281 tors. eta vs tors. theta energy: -223.323 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2629.636307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.636307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.636307 (E_RNA) where: Base-Base interactions energy: -1929.581 where: short stacking energy: -746.721 Base-Backbone interact. energy: 1.233 local terms energy: -701.288842 where: bonds (distance) C4'-P energy: -125.929 bonds (distance) P-C4' energy: -109.531 flat angles C4'-P-C4' energy: -150.722 flat angles P-C4'-P energy: -98.122 tors. eta vs tors. theta energy: -216.985 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: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2599.156469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.156469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.156469 (E_RNA) where: Base-Base interactions energy: -1910.842 where: short stacking energy: -749.125 Base-Backbone interact. energy: -0.875 local terms energy: -687.439071 where: bonds (distance) C4'-P energy: -110.038 bonds (distance) P-C4' energy: -118.049 flat angles C4'-P-C4' energy: -146.672 flat angles P-C4'-P energy: -96.297 tors. eta vs tors. theta energy: -216.383 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: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2543.093526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.093526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.093526 (E_RNA) where: Base-Base interactions energy: -1853.719 where: short stacking energy: -715.355 Base-Backbone interact. energy: 4.539 local terms energy: -693.913700 where: bonds (distance) C4'-P energy: -114.293 bonds (distance) P-C4' energy: -120.366 flat angles C4'-P-C4' energy: -143.735 flat angles P-C4'-P energy: -104.656 tors. eta vs tors. theta energy: -210.863 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: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2499.113667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.113667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.113667 (E_RNA) where: Base-Base interactions energy: -1820.321 where: short stacking energy: -708.568 Base-Backbone interact. energy: -1.393 local terms energy: -677.400577 where: bonds (distance) C4'-P energy: -114.971 bonds (distance) P-C4' energy: -120.483 flat angles C4'-P-C4' energy: -141.919 flat angles P-C4'-P energy: -83.467 tors. eta vs tors. theta energy: -216.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2378.418148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.418148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.418148 (E_RNA) where: Base-Base interactions energy: -1722.018 where: short stacking energy: -671.854 Base-Backbone interact. energy: -2.562 local terms energy: -653.838357 where: bonds (distance) C4'-P energy: -114.605 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -145.025 flat angles P-C4'-P energy: -104.328 tors. eta vs tors. theta energy: -201.679 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: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2340.987074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.987074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.987074 (E_RNA) where: Base-Base interactions energy: -1713.851 where: short stacking energy: -662.211 Base-Backbone interact. energy: -1.077 local terms energy: -626.058346 where: bonds (distance) C4'-P energy: -106.974 bonds (distance) P-C4' energy: -102.111 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -95.220 tors. eta vs tors. theta energy: -208.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2229.220492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.220492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.220492 (E_RNA) where: Base-Base interactions energy: -1615.537 where: short stacking energy: -638.044 Base-Backbone interact. energy: 2.589 local terms energy: -616.273348 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -108.016 flat angles C4'-P-C4' energy: -122.304 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -189.984 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: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1947.898985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.898985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.898985 (E_RNA) where: Base-Base interactions energy: -1423.388 where: short stacking energy: -555.851 Base-Backbone interact. energy: -0.120 local terms energy: -524.390551 where: bonds (distance) C4'-P energy: -105.087 bonds (distance) P-C4' energy: -84.378 flat angles C4'-P-C4' energy: -119.867 flat angles P-C4'-P energy: -66.672 tors. eta vs tors. theta energy: -148.386 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: 10, replica: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1811.660032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.660032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.660032 (E_RNA) where: Base-Base interactions energy: -1288.500 where: short stacking energy: -499.316 Base-Backbone interact. energy: 0.281 local terms energy: -523.440412 where: bonds (distance) C4'-P energy: -98.372 bonds (distance) P-C4' energy: -112.244 flat angles C4'-P-C4' energy: -111.438 flat angles P-C4'-P energy: -69.635 tors. eta vs tors. theta energy: -131.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2683.725618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.725618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.725618 (E_RNA) where: Base-Base interactions energy: -1937.297 where: short stacking energy: -769.443 Base-Backbone interact. energy: -1.612 local terms energy: -744.816676 where: bonds (distance) C4'-P energy: -129.401 bonds (distance) P-C4' energy: -127.106 flat angles C4'-P-C4' energy: -147.247 flat angles P-C4'-P energy: -112.114 tors. eta vs tors. theta energy: -228.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2621.261817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.261817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.261817 (E_RNA) where: Base-Base interactions energy: -1926.671 where: short stacking energy: -741.266 Base-Backbone interact. energy: 0.785 local terms energy: -695.375808 where: bonds (distance) C4'-P energy: -113.252 bonds (distance) P-C4' energy: -117.804 flat angles C4'-P-C4' energy: -136.783 flat angles P-C4'-P energy: -100.280 tors. eta vs tors. theta energy: -227.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2600.937687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.937687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.937687 (E_RNA) where: Base-Base interactions energy: -1870.427 where: short stacking energy: -723.791 Base-Backbone interact. energy: 0.261 local terms energy: -730.772648 where: bonds (distance) C4'-P energy: -123.810 bonds (distance) P-C4' energy: -121.248 flat angles C4'-P-C4' energy: -153.085 flat angles P-C4'-P energy: -116.921 tors. eta vs tors. theta energy: -215.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2560.848569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.848569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.848569 (E_RNA) where: Base-Base interactions energy: -1864.709 where: short stacking energy: -730.522 Base-Backbone interact. energy: -1.791 local terms energy: -694.348072 where: bonds (distance) C4'-P energy: -112.856 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -155.973 flat angles P-C4'-P energy: -99.954 tors. eta vs tors. theta energy: -222.885 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: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2477.409535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.409535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.409535 (E_RNA) where: Base-Base interactions energy: -1816.859 where: short stacking energy: -705.939 Base-Backbone interact. energy: 1.280 local terms energy: -661.830282 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -109.174 flat angles C4'-P-C4' energy: -139.730 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -208.156 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: 6, replica: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2392.398543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.398543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.398543 (E_RNA) where: Base-Base interactions energy: -1747.747 where: short stacking energy: -670.894 Base-Backbone interact. energy: -0.724 local terms energy: -643.927213 where: bonds (distance) C4'-P energy: -110.781 bonds (distance) P-C4' energy: -99.848 flat angles C4'-P-C4' energy: -136.924 flat angles P-C4'-P energy: -97.004 tors. eta vs tors. theta energy: -199.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2271.224064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.224064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.224064 (E_RNA) where: Base-Base interactions energy: -1657.838 where: short stacking energy: -627.470 Base-Backbone interact. energy: -1.929 local terms energy: -611.457044 where: bonds (distance) C4'-P energy: -89.581 bonds (distance) P-C4' energy: -103.456 flat angles C4'-P-C4' energy: -139.751 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -186.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2292.912576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.912576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.912576 (E_RNA) where: Base-Base interactions energy: -1666.758 where: short stacking energy: -627.726 Base-Backbone interact. energy: 0.543 local terms energy: -626.697195 where: bonds (distance) C4'-P energy: -97.633 bonds (distance) P-C4' energy: -119.390 flat angles C4'-P-C4' energy: -134.814 flat angles P-C4'-P energy: -76.105 tors. eta vs tors. theta energy: -198.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1946.987068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.987068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.987068 (E_RNA) where: Base-Base interactions energy: -1376.267 where: short stacking energy: -537.077 Base-Backbone interact. energy: -1.624 local terms energy: -569.096579 where: bonds (distance) C4'-P energy: -104.299 bonds (distance) P-C4' energy: -99.666 flat angles C4'-P-C4' energy: -132.717 flat angles P-C4'-P energy: -76.604 tors. eta vs tors. theta energy: -155.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1845.122539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.122539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.122539 (E_RNA) where: Base-Base interactions energy: -1330.477 where: short stacking energy: -529.556 Base-Backbone interact. energy: 0.195 local terms energy: -514.841254 where: bonds (distance) C4'-P energy: -95.387 bonds (distance) P-C4' energy: -109.736 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -139.811 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: 435 Temperature: 0.900000 Total energy: -2673.127492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.127492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.127492 (E_RNA) where: Base-Base interactions energy: -1947.158 where: short stacking energy: -751.941 Base-Backbone interact. energy: 1.124 local terms energy: -727.093494 where: bonds (distance) C4'-P energy: -118.085 bonds (distance) P-C4' energy: -128.326 flat angles C4'-P-C4' energy: -154.137 flat angles P-C4'-P energy: -103.965 tors. eta vs tors. theta energy: -222.580 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: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2624.283451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.283451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.283451 (E_RNA) where: Base-Base interactions energy: -1904.221 where: short stacking energy: -734.084 Base-Backbone interact. energy: -1.585 local terms energy: -718.477523 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -123.591 flat angles C4'-P-C4' energy: -148.402 flat angles P-C4'-P energy: -100.671 tors. eta vs tors. theta energy: -220.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2575.094449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.094449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.094449 (E_RNA) where: Base-Base interactions energy: -1892.862 where: short stacking energy: -742.537 Base-Backbone interact. energy: 0.155 local terms energy: -682.386854 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -96.167 flat angles C4'-P-C4' energy: -142.607 flat angles P-C4'-P energy: -104.775 tors. eta vs tors. theta energy: -220.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2563.467881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.467881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.467881 (E_RNA) where: Base-Base interactions energy: -1886.670 where: short stacking energy: -733.378 Base-Backbone interact. energy: 2.835 local terms energy: -679.633145 where: bonds (distance) C4'-P energy: -115.896 bonds (distance) P-C4' energy: -110.969 flat angles C4'-P-C4' energy: -139.152 flat angles P-C4'-P energy: -95.309 tors. eta vs tors. theta energy: -218.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2478.834240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.834240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.834240 (E_RNA) where: Base-Base interactions energy: -1793.383 where: short stacking energy: -688.895 Base-Backbone interact. energy: -0.996 local terms energy: -684.455276 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -111.149 flat angles C4'-P-C4' energy: -131.549 flat angles P-C4'-P energy: -107.215 tors. eta vs tors. theta energy: -214.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2422.601827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.601827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.601827 (E_RNA) where: Base-Base interactions energy: -1755.987 where: short stacking energy: -684.333 Base-Backbone interact. energy: -0.044 local terms energy: -666.571177 where: bonds (distance) C4'-P energy: -104.393 bonds (distance) P-C4' energy: -111.781 flat angles C4'-P-C4' energy: -144.343 flat angles P-C4'-P energy: -100.318 tors. eta vs tors. theta energy: -205.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2269.568571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.568571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.568571 (E_RNA) where: Base-Base interactions energy: -1637.281 where: short stacking energy: -648.067 Base-Backbone interact. energy: 0.073 local terms energy: -632.361014 where: bonds (distance) C4'-P energy: -100.980 bonds (distance) P-C4' energy: -99.465 flat angles C4'-P-C4' energy: -136.524 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -197.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2277.670612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.670612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.670612 (E_RNA) where: Base-Base interactions energy: -1675.352 where: short stacking energy: -659.418 Base-Backbone interact. energy: -0.159 local terms energy: -602.160376 where: bonds (distance) C4'-P energy: -98.313 bonds (distance) P-C4' energy: -91.371 flat angles C4'-P-C4' energy: -126.138 flat angles P-C4'-P energy: -87.288 tors. eta vs tors. theta energy: -199.050 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: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1886.489304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.489304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.489304 (E_RNA) where: Base-Base interactions energy: -1325.864 where: short stacking energy: -494.795 Base-Backbone interact. energy: 0.358 local terms energy: -560.982994 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -109.580 flat angles C4'-P-C4' energy: -130.942 flat angles P-C4'-P energy: -75.940 tors. eta vs tors. theta energy: -145.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1769.436722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.436722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.436722 (E_RNA) where: Base-Base interactions energy: -1253.011 where: short stacking energy: -501.447 Base-Backbone interact. energy: 0.378 local terms energy: -516.804044 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -109.542 flat angles C4'-P-C4' energy: -109.937 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -136.463 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: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2685.438820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.438820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.438820 (E_RNA) where: Base-Base interactions energy: -1953.359 where: short stacking energy: -758.448 Base-Backbone interact. energy: 1.093 local terms energy: -733.172634 where: bonds (distance) C4'-P energy: -128.052 bonds (distance) P-C4' energy: -133.468 flat angles C4'-P-C4' energy: -146.807 flat angles P-C4'-P energy: -94.738 tors. eta vs tors. theta energy: -230.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2630.269758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.269758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.269758 (E_RNA) where: Base-Base interactions energy: -1928.945 where: short stacking energy: -752.598 Base-Backbone interact. energy: 2.165 local terms energy: -703.490001 where: bonds (distance) C4'-P energy: -128.935 bonds (distance) P-C4' energy: -106.652 flat angles C4'-P-C4' energy: -147.529 flat angles P-C4'-P energy: -104.665 tors. eta vs tors. theta energy: -215.709 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: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2578.476043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.476043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.476043 (E_RNA) where: Base-Base interactions energy: -1905.604 where: short stacking energy: -731.055 Base-Backbone interact. energy: -1.949 local terms energy: -670.922884 where: bonds (distance) C4'-P energy: -108.023 bonds (distance) P-C4' energy: -111.060 flat angles C4'-P-C4' energy: -138.013 flat angles P-C4'-P energy: -103.506 tors. eta vs tors. theta energy: -210.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2550.331802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.331802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.331802 (E_RNA) where: Base-Base interactions energy: -1849.837 where: short stacking energy: -722.396 Base-Backbone interact. energy: -0.493 local terms energy: -700.001093 where: bonds (distance) C4'-P energy: -110.107 bonds (distance) P-C4' energy: -115.611 flat angles C4'-P-C4' energy: -147.422 flat angles P-C4'-P energy: -107.041 tors. eta vs tors. theta energy: -219.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2466.714211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.714211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.714211 (E_RNA) where: Base-Base interactions energy: -1806.374 where: short stacking energy: -699.856 Base-Backbone interact. energy: -0.546 local terms energy: -659.794065 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -113.401 flat angles C4'-P-C4' energy: -144.359 flat angles P-C4'-P energy: -90.126 tors. eta vs tors. theta energy: -202.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2448.823303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.823303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.823303 (E_RNA) where: Base-Base interactions energy: -1812.217 where: short stacking energy: -694.897 Base-Backbone interact. energy: -1.564 local terms energy: -635.042031 where: bonds (distance) C4'-P energy: -114.836 bonds (distance) P-C4' energy: -94.756 flat angles C4'-P-C4' energy: -137.549 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -211.373 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: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2332.043181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.043181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.043181 (E_RNA) where: Base-Base interactions energy: -1689.540 where: short stacking energy: -642.581 Base-Backbone interact. energy: -0.038 local terms energy: -642.464992 where: bonds (distance) C4'-P energy: -118.856 bonds (distance) P-C4' energy: -92.615 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -92.343 tors. eta vs tors. theta energy: -200.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2252.751430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.751430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.751430 (E_RNA) where: Base-Base interactions energy: -1633.486 where: short stacking energy: -637.379 Base-Backbone interact. energy: 2.882 local terms energy: -622.147477 where: bonds (distance) C4'-P energy: -96.358 bonds (distance) P-C4' energy: -100.810 flat angles C4'-P-C4' energy: -129.587 flat angles P-C4'-P energy: -101.879 tors. eta vs tors. theta energy: -193.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1916.489484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.489484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.489484 (E_RNA) where: Base-Base interactions energy: -1372.494 where: short stacking energy: -540.752 Base-Backbone interact. energy: -2.365 local terms energy: -541.630364 where: bonds (distance) C4'-P energy: -108.724 bonds (distance) P-C4' energy: -98.492 flat angles C4'-P-C4' energy: -115.150 flat angles P-C4'-P energy: -72.368 tors. eta vs tors. theta energy: -146.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1758.021876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.021876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.021876 (E_RNA) where: Base-Base interactions energy: -1255.071 where: short stacking energy: -508.636 Base-Backbone interact. energy: -0.791 local terms energy: -502.159786 where: bonds (distance) C4'-P energy: -93.176 bonds (distance) P-C4' energy: -89.205 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -72.560 tors. eta vs tors. theta energy: -134.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2667.786551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.786551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.786551 (E_RNA) where: Base-Base interactions energy: -1930.641 where: short stacking energy: -745.143 Base-Backbone interact. energy: -0.368 local terms energy: -736.777740 where: bonds (distance) C4'-P energy: -123.967 bonds (distance) P-C4' energy: -134.435 flat angles C4'-P-C4' energy: -149.793 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -224.269 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2647.502334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.502334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.502334 (E_RNA) where: Base-Base interactions energy: -1928.565 where: short stacking energy: -749.667 Base-Backbone interact. energy: -1.547 local terms energy: -717.390315 where: bonds (distance) C4'-P energy: -117.488 bonds (distance) P-C4' energy: -112.898 flat angles C4'-P-C4' energy: -155.842 flat angles P-C4'-P energy: -109.215 tors. eta vs tors. theta energy: -221.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2583.107014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.107014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.107014 (E_RNA) where: Base-Base interactions energy: -1878.778 where: short stacking energy: -712.393 Base-Backbone interact. energy: -1.006 local terms energy: -703.323744 where: bonds (distance) C4'-P energy: -127.141 bonds (distance) P-C4' energy: -120.099 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -105.356 tors. eta vs tors. theta energy: -213.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2602.759651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.759651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.759651 (E_RNA) where: Base-Base interactions energy: -1899.318 where: short stacking energy: -741.151 Base-Backbone interact. energy: -1.518 local terms energy: -701.923637 where: bonds (distance) C4'-P energy: -113.134 bonds (distance) P-C4' energy: -121.468 flat angles C4'-P-C4' energy: -151.924 flat angles P-C4'-P energy: -98.635 tors. eta vs tors. theta energy: -216.762 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: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2456.637597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.637597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.637597 (E_RNA) where: Base-Base interactions energy: -1786.528 where: short stacking energy: -707.545 Base-Backbone interact. energy: 0.179 local terms energy: -670.287956 where: bonds (distance) C4'-P energy: -104.176 bonds (distance) P-C4' energy: -109.181 flat angles C4'-P-C4' energy: -141.773 flat angles P-C4'-P energy: -103.901 tors. eta vs tors. theta energy: -211.256 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: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2455.574271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.574271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.574271 (E_RNA) where: Base-Base interactions energy: -1789.767 where: short stacking energy: -685.764 Base-Backbone interact. energy: -1.999 local terms energy: -663.808158 where: bonds (distance) C4'-P energy: -109.099 bonds (distance) P-C4' energy: -113.330 flat angles C4'-P-C4' energy: -138.721 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: -210.843 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: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2261.286545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.286545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.286545 (E_RNA) where: Base-Base interactions energy: -1643.464 where: short stacking energy: -635.139 Base-Backbone interact. energy: 0.053 local terms energy: -617.875603 where: bonds (distance) C4'-P energy: -103.939 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -126.274 flat angles P-C4'-P energy: -85.277 tors. eta vs tors. theta energy: -195.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2213.367406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.367406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.367406 (E_RNA) where: Base-Base interactions energy: -1588.457 where: short stacking energy: -591.638 Base-Backbone interact. energy: -1.798 local terms energy: -623.112238 where: bonds (distance) C4'-P energy: -114.255 bonds (distance) P-C4' energy: -113.652 flat angles C4'-P-C4' energy: -120.136 flat angles P-C4'-P energy: -90.506 tors. eta vs tors. theta energy: -184.564 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: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1969.750868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.750868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.750868 (E_RNA) where: Base-Base interactions energy: -1429.474 where: short stacking energy: -559.344 Base-Backbone interact. energy: 0.963 local terms energy: -541.240061 where: bonds (distance) C4'-P energy: -83.443 bonds (distance) P-C4' energy: -109.280 flat angles C4'-P-C4' energy: -120.065 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -149.094 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: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1850.410481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.410481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.410481 (E_RNA) where: Base-Base interactions energy: -1326.894 where: short stacking energy: -540.915 Base-Backbone interact. energy: 6.696 local terms energy: -530.211645 where: bonds (distance) C4'-P energy: -95.836 bonds (distance) P-C4' energy: -103.874 flat angles C4'-P-C4' energy: -106.425 flat angles P-C4'-P energy: -69.023 tors. eta vs tors. theta energy: -155.054 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: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2693.709629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.709629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.709629 (E_RNA) where: Base-Base interactions energy: -1962.555 where: short stacking energy: -753.850 Base-Backbone interact. energy: -1.088 local terms energy: -730.066582 where: bonds (distance) C4'-P energy: -116.428 bonds (distance) P-C4' energy: -117.813 flat angles C4'-P-C4' energy: -157.784 flat angles P-C4'-P energy: -111.714 tors. eta vs tors. theta energy: -226.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2643.515598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.515598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.515598 (E_RNA) where: Base-Base interactions energy: -1922.363 where: short stacking energy: -747.398 Base-Backbone interact. energy: -0.328 local terms energy: -720.825179 where: bonds (distance) C4'-P energy: -119.854 bonds (distance) P-C4' energy: -117.061 flat angles C4'-P-C4' energy: -155.565 flat angles P-C4'-P energy: -104.562 tors. eta vs tors. theta energy: -223.783 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: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2602.345195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.345195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.345195 (E_RNA) where: Base-Base interactions energy: -1896.469 where: short stacking energy: -745.894 Base-Backbone interact. energy: -1.321 local terms energy: -704.554479 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -111.155 flat angles C4'-P-C4' energy: -139.865 flat angles P-C4'-P energy: -103.022 tors. eta vs tors. theta energy: -225.813 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: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2527.380706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.380706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.380706 (E_RNA) where: Base-Base interactions energy: -1870.117 where: short stacking energy: -722.442 Base-Backbone interact. energy: 3.107 local terms energy: -660.370276 where: bonds (distance) C4'-P energy: -100.230 bonds (distance) P-C4' energy: -108.987 flat angles C4'-P-C4' energy: -140.443 flat angles P-C4'-P energy: -100.906 tors. eta vs tors. theta energy: -209.804 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: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2468.875269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.875269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.875269 (E_RNA) where: Base-Base interactions energy: -1786.984 where: short stacking energy: -697.255 Base-Backbone interact. energy: -0.132 local terms energy: -681.759454 where: bonds (distance) C4'-P energy: -122.203 bonds (distance) P-C4' energy: -112.826 flat angles C4'-P-C4' energy: -140.830 flat angles P-C4'-P energy: -90.687 tors. eta vs tors. theta energy: -215.214 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: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2411.218641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.218641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.218641 (E_RNA) where: Base-Base interactions energy: -1772.250 where: short stacking energy: -684.731 Base-Backbone interact. energy: -0.822 local terms energy: -638.146561 where: bonds (distance) C4'-P energy: -98.083 bonds (distance) P-C4' energy: -101.088 flat angles C4'-P-C4' energy: -147.920 flat angles P-C4'-P energy: -91.482 tors. eta vs tors. theta energy: -199.574 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: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2274.046455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.046455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.046455 (E_RNA) where: Base-Base interactions energy: -1634.904 where: short stacking energy: -629.232 Base-Backbone interact. energy: 0.591 local terms energy: -639.733651 where: bonds (distance) C4'-P energy: -120.362 bonds (distance) P-C4' energy: -121.685 flat angles C4'-P-C4' energy: -122.222 flat angles P-C4'-P energy: -88.302 tors. eta vs tors. theta energy: -187.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2223.364829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.364829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.364829 (E_RNA) where: Base-Base interactions energy: -1627.648 where: short stacking energy: -636.494 Base-Backbone interact. energy: -0.551 local terms energy: -595.165814 where: bonds (distance) C4'-P energy: -97.735 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -124.299 flat angles P-C4'-P energy: -88.194 tors. eta vs tors. theta energy: -190.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1973.542106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.542106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.542106 (E_RNA) where: Base-Base interactions energy: -1428.155 where: short stacking energy: -557.457 Base-Backbone interact. energy: -1.400 local terms energy: -543.987299 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -97.309 flat angles C4'-P-C4' energy: -134.815 flat angles P-C4'-P energy: -81.237 tors. eta vs tors. theta energy: -160.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1815.298183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.298183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.298183 (E_RNA) where: Base-Base interactions energy: -1299.175 where: short stacking energy: -519.418 Base-Backbone interact. energy: -0.369 local terms energy: -515.753945 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -123.867 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -154.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2687.861058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.861058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.861058 (E_RNA) where: Base-Base interactions energy: -1972.295 where: short stacking energy: -772.820 Base-Backbone interact. energy: -3.013 local terms energy: -712.553067 where: bonds (distance) C4'-P energy: -118.987 bonds (distance) P-C4' energy: -110.778 flat angles C4'-P-C4' energy: -151.017 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -231.731 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: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2618.740923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.740923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.740923 (E_RNA) where: Base-Base interactions energy: -1895.582 where: short stacking energy: -734.316 Base-Backbone interact. energy: -1.478 local terms energy: -721.680731 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -122.650 flat angles C4'-P-C4' energy: -157.543 flat angles P-C4'-P energy: -102.940 tors. eta vs tors. theta energy: -224.482 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: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2587.939495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.939495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.939495 (E_RNA) where: Base-Base interactions energy: -1881.484 where: short stacking energy: -726.290 Base-Backbone interact. energy: -2.137 local terms energy: -704.318985 where: bonds (distance) C4'-P energy: -100.211 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -154.555 flat angles P-C4'-P energy: -108.610 tors. eta vs tors. theta energy: -218.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2543.369970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.369970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.369970 (E_RNA) where: Base-Base interactions energy: -1865.260 where: short stacking energy: -730.759 Base-Backbone interact. energy: -2.301 local terms energy: -675.808122 where: bonds (distance) C4'-P energy: -111.397 bonds (distance) P-C4' energy: -101.940 flat angles C4'-P-C4' energy: -143.045 flat angles P-C4'-P energy: -106.936 tors. eta vs tors. theta energy: -212.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2496.722248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.722248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.722248 (E_RNA) where: Base-Base interactions energy: -1827.050 where: short stacking energy: -724.500 Base-Backbone interact. energy: -0.974 local terms energy: -668.697780 where: bonds (distance) C4'-P energy: -104.879 bonds (distance) P-C4' energy: -103.827 flat angles C4'-P-C4' energy: -147.525 flat angles P-C4'-P energy: -96.806 tors. eta vs tors. theta energy: -215.660 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: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2423.052292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.052292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.052292 (E_RNA) where: Base-Base interactions energy: -1793.701 where: short stacking energy: -688.046 Base-Backbone interact. energy: 1.634 local terms energy: -630.985127 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -105.419 flat angles C4'-P-C4' energy: -127.589 flat angles P-C4'-P energy: -91.524 tors. eta vs tors. theta energy: -198.127 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: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2345.778704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.778704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.778704 (E_RNA) where: Base-Base interactions energy: -1732.101 where: short stacking energy: -698.218 Base-Backbone interact. energy: -0.368 local terms energy: -613.310142 where: bonds (distance) C4'-P energy: -97.529 bonds (distance) P-C4' energy: -105.703 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -93.976 tors. eta vs tors. theta energy: -197.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2234.504693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.504693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.504693 (E_RNA) where: Base-Base interactions energy: -1637.238 where: short stacking energy: -649.312 Base-Backbone interact. energy: 0.802 local terms energy: -598.068678 where: bonds (distance) C4'-P energy: -103.490 bonds (distance) P-C4' energy: -82.436 flat angles C4'-P-C4' energy: -124.018 flat angles P-C4'-P energy: -97.275 tors. eta vs tors. theta energy: -190.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1996.993322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.993322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.993322 (E_RNA) where: Base-Base interactions energy: -1413.519 where: short stacking energy: -542.894 Base-Backbone interact. energy: 4.063 local terms energy: -587.537311 where: bonds (distance) C4'-P energy: -103.175 bonds (distance) P-C4' energy: -114.778 flat angles C4'-P-C4' energy: -127.184 flat angles P-C4'-P energy: -85.087 tors. eta vs tors. theta energy: -157.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1788.675831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.675831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.675831 (E_RNA) where: Base-Base interactions energy: -1280.730 where: short stacking energy: -504.541 Base-Backbone interact. energy: 0.892 local terms energy: -508.838330 where: bonds (distance) C4'-P energy: -92.989 bonds (distance) P-C4' energy: -103.222 flat angles C4'-P-C4' energy: -115.489 flat angles P-C4'-P energy: -53.874 tors. eta vs tors. theta energy: -143.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2692.294044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.294044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.294044 (E_RNA) where: Base-Base interactions energy: -1957.242 where: short stacking energy: -761.329 Base-Backbone interact. energy: -1.382 local terms energy: -733.670013 where: bonds (distance) C4'-P energy: -128.144 bonds (distance) P-C4' energy: -129.252 flat angles C4'-P-C4' energy: -147.674 flat angles P-C4'-P energy: -111.548 tors. eta vs tors. theta energy: -217.052 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: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2668.590871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.590871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.590871 (E_RNA) where: Base-Base interactions energy: -1950.654 where: short stacking energy: -745.851 Base-Backbone interact. energy: 0.927 local terms energy: -718.863740 where: bonds (distance) C4'-P energy: -117.048 bonds (distance) P-C4' energy: -122.087 flat angles C4'-P-C4' energy: -149.275 flat angles P-C4'-P energy: -98.712 tors. eta vs tors. theta energy: -231.741 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: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2629.033213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.033213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.033213 (E_RNA) where: Base-Base interactions energy: -1902.344 where: short stacking energy: -726.488 Base-Backbone interact. energy: -1.282 local terms energy: -725.407421 where: bonds (distance) C4'-P energy: -128.478 bonds (distance) P-C4' energy: -123.888 flat angles C4'-P-C4' energy: -141.178 flat angles P-C4'-P energy: -109.627 tors. eta vs tors. theta energy: -222.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2574.388667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.388667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.388667 (E_RNA) where: Base-Base interactions energy: -1879.681 where: short stacking energy: -718.105 Base-Backbone interact. energy: -2.832 local terms energy: -691.875734 where: bonds (distance) C4'-P energy: -113.123 bonds (distance) P-C4' energy: -126.031 flat angles C4'-P-C4' energy: -149.306 flat angles P-C4'-P energy: -91.524 tors. eta vs tors. theta energy: -211.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2490.725401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.725401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.725401 (E_RNA) where: Base-Base interactions energy: -1792.886 where: short stacking energy: -697.423 Base-Backbone interact. energy: -0.176 local terms energy: -697.663418 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -136.182 flat angles C4'-P-C4' energy: -137.179 flat angles P-C4'-P energy: -90.162 tors. eta vs tors. theta energy: -212.471 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: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2411.981308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.981308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.981308 (E_RNA) where: Base-Base interactions energy: -1753.514 where: short stacking energy: -690.418 Base-Backbone interact. energy: -0.701 local terms energy: -657.766491 where: bonds (distance) C4'-P energy: -105.090 bonds (distance) P-C4' energy: -112.246 flat angles C4'-P-C4' energy: -147.138 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -206.197 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: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2287.152048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.152048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.152048 (E_RNA) where: Base-Base interactions energy: -1680.178 where: short stacking energy: -666.047 Base-Backbone interact. energy: -0.622 local terms energy: -606.352680 where: bonds (distance) C4'-P energy: -105.187 bonds (distance) P-C4' energy: -102.323 flat angles C4'-P-C4' energy: -130.746 flat angles P-C4'-P energy: -77.975 tors. eta vs tors. theta energy: -190.122 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: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2253.830916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.830916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.830916 (E_RNA) where: Base-Base interactions energy: -1664.063 where: short stacking energy: -648.106 Base-Backbone interact. energy: -0.346 local terms energy: -589.422297 where: bonds (distance) C4'-P energy: -85.022 bonds (distance) P-C4' energy: -104.277 flat angles C4'-P-C4' energy: -118.792 flat angles P-C4'-P energy: -89.616 tors. eta vs tors. theta energy: -191.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1999.985082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.985082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.985082 (E_RNA) where: Base-Base interactions energy: -1451.728 where: short stacking energy: -565.904 Base-Backbone interact. energy: 1.683 local terms energy: -549.940544 where: bonds (distance) C4'-P energy: -86.191 bonds (distance) P-C4' energy: -112.232 flat angles C4'-P-C4' energy: -109.993 flat angles P-C4'-P energy: -77.913 tors. eta vs tors. theta energy: -163.612 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: 10, replica: 1 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1701.435830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.435830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.435830 (E_RNA) where: Base-Base interactions energy: -1207.668 where: short stacking energy: -465.565 Base-Backbone interact. energy: -0.558 local terms energy: -493.210236 where: bonds (distance) C4'-P energy: -80.766 bonds (distance) P-C4' energy: -93.590 flat angles C4'-P-C4' energy: -114.983 flat angles P-C4'-P energy: -79.408 tors. eta vs tors. theta energy: -124.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2685.803492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.803492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.803492 (E_RNA) where: Base-Base interactions energy: -1968.138 where: short stacking energy: -768.547 Base-Backbone interact. energy: -0.318 local terms energy: -717.348058 where: bonds (distance) C4'-P energy: -128.448 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -144.525 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -223.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2642.740770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.740770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.740770 (E_RNA) where: Base-Base interactions energy: -1916.981 where: short stacking energy: -741.917 Base-Backbone interact. energy: 0.884 local terms energy: -726.643605 where: bonds (distance) C4'-P energy: -123.480 bonds (distance) P-C4' energy: -125.188 flat angles C4'-P-C4' energy: -148.664 flat angles P-C4'-P energy: -103.882 tors. eta vs tors. theta energy: -225.431 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: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2603.796327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.796327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.796327 (E_RNA) where: Base-Base interactions energy: -1891.798 where: short stacking energy: -739.749 Base-Backbone interact. energy: 2.843 local terms energy: -714.840818 where: bonds (distance) C4'-P energy: -130.865 bonds (distance) P-C4' energy: -129.405 flat angles C4'-P-C4' energy: -145.725 flat angles P-C4'-P energy: -92.160 tors. eta vs tors. theta energy: -216.686 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: 441 Temperature: 1.050000 Total energy: -2533.312451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.312451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.312451 (E_RNA) where: Base-Base interactions energy: -1837.439 where: short stacking energy: -707.299 Base-Backbone interact. energy: -0.972 local terms energy: -694.901731 where: bonds (distance) C4'-P energy: -122.827 bonds (distance) P-C4' energy: -120.693 flat angles C4'-P-C4' energy: -141.209 flat angles P-C4'-P energy: -96.936 tors. eta vs tors. theta energy: -213.236 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: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2541.011928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.011928 (E_RNA) where: Base-Base interactions energy: -1875.591 where: short stacking energy: -710.049 Base-Backbone interact. energy: -0.147 local terms energy: -665.273276 where: bonds (distance) C4'-P energy: -106.093 bonds (distance) P-C4' energy: -122.801 flat angles C4'-P-C4' energy: -133.305 flat angles P-C4'-P energy: -91.821 tors. eta vs tors. theta energy: -211.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2392.974883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.974883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.974883 (E_RNA) where: Base-Base interactions energy: -1728.991 where: short stacking energy: -668.197 Base-Backbone interact. energy: -1.719 local terms energy: -662.264450 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -108.429 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -205.233 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: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2310.356301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.356301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.356301 (E_RNA) where: Base-Base interactions energy: -1674.810 where: short stacking energy: -666.838 Base-Backbone interact. energy: -2.016 local terms energy: -633.529678 where: bonds (distance) C4'-P energy: -97.027 bonds (distance) P-C4' energy: -110.020 flat angles C4'-P-C4' energy: -131.773 flat angles P-C4'-P energy: -95.497 tors. eta vs tors. theta energy: -199.212 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: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2289.438207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.438207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.438207 (E_RNA) where: Base-Base interactions energy: -1648.995 where: short stacking energy: -626.990 Base-Backbone interact. energy: 0.542 local terms energy: -640.985467 where: bonds (distance) C4'-P energy: -113.438 bonds (distance) P-C4' energy: -94.914 flat angles C4'-P-C4' energy: -138.156 flat angles P-C4'-P energy: -100.121 tors. eta vs tors. theta energy: -194.356 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: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -2014.543200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.543200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.543200 (E_RNA) where: Base-Base interactions energy: -1485.994 where: short stacking energy: -588.232 Base-Backbone interact. energy: 4.144 local terms energy: -532.692309 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -96.713 flat angles C4'-P-C4' energy: -130.390 flat angles P-C4'-P energy: -67.473 tors. eta vs tors. theta energy: -159.706 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: 1 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1740.119506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.119506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.119506 (E_RNA) where: Base-Base interactions energy: -1196.689 where: short stacking energy: -488.225 Base-Backbone interact. energy: 5.180 local terms energy: -548.611407 where: bonds (distance) C4'-P energy: -120.992 bonds (distance) P-C4' energy: -107.915 flat angles C4'-P-C4' energy: -124.517 flat angles P-C4'-P energy: -65.097 tors. eta vs tors. theta energy: -130.090 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: 1, replica: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2684.906499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.906499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.906499 (E_RNA) where: Base-Base interactions energy: -1952.648 where: short stacking energy: -762.869 Base-Backbone interact. energy: -0.990 local terms energy: -731.268515 where: bonds (distance) C4'-P energy: -123.008 bonds (distance) P-C4' energy: -122.844 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -108.951 tors. eta vs tors. theta energy: -225.791 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: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2625.597689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.597689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.597689 (E_RNA) where: Base-Base interactions energy: -1917.419 where: short stacking energy: -739.978 Base-Backbone interact. energy: -1.204 local terms energy: -706.974610 where: bonds (distance) C4'-P energy: -102.783 bonds (distance) P-C4' energy: -122.451 flat angles C4'-P-C4' energy: -151.305 flat angles P-C4'-P energy: -107.410 tors. eta vs tors. theta energy: -223.025 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: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2592.053816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.053816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.053816 (E_RNA) where: Base-Base interactions energy: -1893.804 where: short stacking energy: -745.559 Base-Backbone interact. energy: 0.303 local terms energy: -698.552794 where: bonds (distance) C4'-P energy: -121.954 bonds (distance) P-C4' energy: -122.298 flat angles C4'-P-C4' energy: -139.881 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -216.829 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: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2544.995484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.995484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.995484 (E_RNA) where: Base-Base interactions energy: -1865.531 where: short stacking energy: -719.655 Base-Backbone interact. energy: 0.033 local terms energy: -679.498009 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -110.068 flat angles C4'-P-C4' energy: -144.492 flat angles P-C4'-P energy: -91.131 tors. eta vs tors. theta energy: -224.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2510.710603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.710603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.710603 (E_RNA) where: Base-Base interactions energy: -1844.863 where: short stacking energy: -709.653 Base-Backbone interact. energy: 1.007 local terms energy: -666.854437 where: bonds (distance) C4'-P energy: -98.828 bonds (distance) P-C4' energy: -125.332 flat angles C4'-P-C4' energy: -140.756 flat angles P-C4'-P energy: -87.762 tors. eta vs tors. theta energy: -214.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2394.826410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.826410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.826410 (E_RNA) where: Base-Base interactions energy: -1745.296 where: short stacking energy: -686.637 Base-Backbone interact. energy: 0.661 local terms energy: -650.191421 where: bonds (distance) C4'-P energy: -106.843 bonds (distance) P-C4' energy: -113.807 flat angles C4'-P-C4' energy: -136.289 flat angles P-C4'-P energy: -95.295 tors. eta vs tors. theta energy: -197.957 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: 3 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2269.613209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.613209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.613209 (E_RNA) where: Base-Base interactions energy: -1643.720 where: short stacking energy: -645.168 Base-Backbone interact. energy: -1.769 local terms energy: -624.123919 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -105.554 flat angles C4'-P-C4' energy: -137.125 flat angles P-C4'-P energy: -92.437 tors. eta vs tors. theta energy: -197.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -2265.727600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.727600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.727600 (E_RNA) where: Base-Base interactions energy: -1620.686 where: short stacking energy: -640.285 Base-Backbone interact. energy: -2.394 local terms energy: -642.647879 where: bonds (distance) C4'-P energy: -111.765 bonds (distance) P-C4' energy: -91.163 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -95.773 tors. eta vs tors. theta energy: -201.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -2064.046903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.046903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.046903 (E_RNA) where: Base-Base interactions energy: -1507.540 where: short stacking energy: -570.726 Base-Backbone interact. energy: 0.374 local terms energy: -556.880893 where: bonds (distance) C4'-P energy: -93.059 bonds (distance) P-C4' energy: -93.567 flat angles C4'-P-C4' energy: -127.278 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -169.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1785.506827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.506827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.506827 (E_RNA) where: Base-Base interactions energy: -1249.134 where: short stacking energy: -496.256 Base-Backbone interact. energy: 1.051 local terms energy: -537.423835 where: bonds (distance) C4'-P energy: -83.132 bonds (distance) P-C4' energy: -109.626 flat angles C4'-P-C4' energy: -116.130 flat angles P-C4'-P energy: -87.065 tors. eta vs tors. theta energy: -141.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2697.668993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.668993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.668993 (E_RNA) where: Base-Base interactions energy: -1960.321 where: short stacking energy: -759.707 Base-Backbone interact. energy: -1.624 local terms energy: -735.724714 where: bonds (distance) C4'-P energy: -120.626 bonds (distance) P-C4' energy: -134.249 flat angles C4'-P-C4' energy: -151.524 flat angles P-C4'-P energy: -105.837 tors. eta vs tors. theta energy: -223.489 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: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2669.324873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.324873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.324873 (E_RNA) where: Base-Base interactions energy: -1928.701 where: short stacking energy: -749.461 Base-Backbone interact. energy: -0.234 local terms energy: -740.389444 where: bonds (distance) C4'-P energy: -118.381 bonds (distance) P-C4' energy: -130.593 flat angles C4'-P-C4' energy: -151.759 flat angles P-C4'-P energy: -112.754 tors. eta vs tors. theta energy: -226.903 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: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2570.016676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.016676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.016676 (E_RNA) where: Base-Base interactions energy: -1853.013 where: short stacking energy: -715.713 Base-Backbone interact. energy: -0.442 local terms energy: -716.560939 where: bonds (distance) C4'-P energy: -119.086 bonds (distance) P-C4' energy: -122.843 flat angles C4'-P-C4' energy: -144.625 flat angles P-C4'-P energy: -112.784 tors. eta vs tors. theta energy: -217.223 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: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2575.727819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.727819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.727819 (E_RNA) where: Base-Base interactions energy: -1889.402 where: short stacking energy: -733.020 Base-Backbone interact. energy: -1.928 local terms energy: -684.398524 where: bonds (distance) C4'-P energy: -102.530 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -141.236 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -227.123 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: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2509.153933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.153933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.153933 (E_RNA) where: Base-Base interactions energy: -1879.633 where: short stacking energy: -719.974 Base-Backbone interact. energy: 4.155 local terms energy: -633.675196 where: bonds (distance) C4'-P energy: -100.803 bonds (distance) P-C4' energy: -108.698 flat angles C4'-P-C4' energy: -129.481 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -210.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2430.348393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.348393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.348393 (E_RNA) where: Base-Base interactions energy: -1777.881 where: short stacking energy: -681.738 Base-Backbone interact. energy: -0.729 local terms energy: -651.738389 where: bonds (distance) C4'-P energy: -118.683 bonds (distance) P-C4' energy: -111.871 flat angles C4'-P-C4' energy: -133.756 flat angles P-C4'-P energy: -88.075 tors. eta vs tors. theta energy: -199.354 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: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2267.227819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.227819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.227819 (E_RNA) where: Base-Base interactions energy: -1662.923 where: short stacking energy: -644.191 Base-Backbone interact. energy: -2.403 local terms energy: -601.902345 where: bonds (distance) C4'-P energy: -109.379 bonds (distance) P-C4' energy: -91.123 flat angles C4'-P-C4' energy: -137.125 flat angles P-C4'-P energy: -72.418 tors. eta vs tors. theta energy: -191.857 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: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2226.610811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.610811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.610811 (E_RNA) where: Base-Base interactions energy: -1615.656 where: short stacking energy: -634.266 Base-Backbone interact. energy: -1.777 local terms energy: -609.177601 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -106.503 flat angles C4'-P-C4' energy: -131.514 flat angles P-C4'-P energy: -81.382 tors. eta vs tors. theta energy: -189.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -2018.677088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.677088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.677088 (E_RNA) where: Base-Base interactions energy: -1443.398 where: short stacking energy: -555.312 Base-Backbone interact. energy: 0.793 local terms energy: -576.071552 where: bonds (distance) C4'-P energy: -110.968 bonds (distance) P-C4' energy: -104.375 flat angles C4'-P-C4' energy: -131.137 flat angles P-C4'-P energy: -74.176 tors. eta vs tors. theta energy: -155.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1747.931623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.931623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.931623 (E_RNA) where: Base-Base interactions energy: -1274.056 where: short stacking energy: -504.429 Base-Backbone interact. energy: -1.055 local terms energy: -472.820606 where: bonds (distance) C4'-P energy: -74.296 bonds (distance) P-C4' energy: -98.333 flat angles C4'-P-C4' energy: -100.731 flat angles P-C4'-P energy: -64.173 tors. eta vs tors. theta energy: -135.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2682.442188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.442188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.442188 (E_RNA) where: Base-Base interactions energy: -1963.241 where: short stacking energy: -768.930 Base-Backbone interact. energy: -1.630 local terms energy: -717.571165 where: bonds (distance) C4'-P energy: -112.355 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -149.866 flat angles P-C4'-P energy: -96.534 tors. eta vs tors. theta energy: -224.914 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: 444 Temperature: 0.950000 Total energy: -2652.413542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.413542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.413542 (E_RNA) where: Base-Base interactions energy: -1942.624 where: short stacking energy: -765.251 Base-Backbone interact. energy: 5.668 local terms energy: -715.457373 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -104.571 tors. eta vs tors. theta energy: -225.473 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2589.151877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.151877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.151877 (E_RNA) where: Base-Base interactions energy: -1887.586 where: short stacking energy: -732.125 Base-Backbone interact. energy: -1.218 local terms energy: -700.347348 where: bonds (distance) C4'-P energy: -108.452 bonds (distance) P-C4' energy: -112.463 flat angles C4'-P-C4' energy: -150.428 flat angles P-C4'-P energy: -110.049 tors. eta vs tors. theta energy: -218.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2499.331285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.331285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.331285 (E_RNA) where: Base-Base interactions energy: -1843.403 where: short stacking energy: -711.612 Base-Backbone interact. energy: 0.605 local terms energy: -656.533146 where: bonds (distance) C4'-P energy: -109.478 bonds (distance) P-C4' energy: -105.277 flat angles C4'-P-C4' energy: -132.024 flat angles P-C4'-P energy: -95.273 tors. eta vs tors. theta energy: -214.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2523.876993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.876993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.876993 (E_RNA) where: Base-Base interactions energy: -1852.131 where: short stacking energy: -697.439 Base-Backbone interact. energy: -1.320 local terms energy: -670.425538 where: bonds (distance) C4'-P energy: -103.324 bonds (distance) P-C4' energy: -119.305 flat angles C4'-P-C4' energy: -134.969 flat angles P-C4'-P energy: -105.526 tors. eta vs tors. theta energy: -207.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2403.882416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.882416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.882416 (E_RNA) where: Base-Base interactions energy: -1731.802 where: short stacking energy: -667.473 Base-Backbone interact. energy: -0.334 local terms energy: -671.746402 where: bonds (distance) C4'-P energy: -107.684 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -140.346 flat angles P-C4'-P energy: -99.385 tors. eta vs tors. theta energy: -210.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2255.808537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.808537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.808537 (E_RNA) where: Base-Base interactions energy: -1645.845 where: short stacking energy: -655.754 Base-Backbone interact. energy: -1.478 local terms energy: -608.485531 where: bonds (distance) C4'-P energy: -98.178 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -125.986 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -195.971 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: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2248.704259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.704259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.704259 (E_RNA) where: Base-Base interactions energy: -1667.147 where: short stacking energy: -639.643 Base-Backbone interact. energy: 0.561 local terms energy: -582.118079 where: bonds (distance) C4'-P energy: -91.463 bonds (distance) P-C4' energy: -86.840 flat angles C4'-P-C4' energy: -136.587 flat angles P-C4'-P energy: -86.078 tors. eta vs tors. theta energy: -181.150 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: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -2022.958081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.958081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.958081 (E_RNA) where: Base-Base interactions energy: -1474.664 where: short stacking energy: -563.393 Base-Backbone interact. energy: 0.426 local terms energy: -548.720329 where: bonds (distance) C4'-P energy: -90.913 bonds (distance) P-C4' energy: -99.135 flat angles C4'-P-C4' energy: -116.647 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: -164.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1790.414115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.414115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.414115 (E_RNA) where: Base-Base interactions energy: -1294.421 where: short stacking energy: -521.313 Base-Backbone interact. energy: 4.311 local terms energy: -500.303543 where: bonds (distance) C4'-P energy: -90.426 bonds (distance) P-C4' energy: -109.359 flat angles C4'-P-C4' energy: -101.892 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: -134.573 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: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2674.030361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.030361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.030361 (E_RNA) where: Base-Base interactions energy: -1963.448 where: short stacking energy: -766.655 Base-Backbone interact. energy: -1.222 local terms energy: -709.360724 where: bonds (distance) C4'-P energy: -107.461 bonds (distance) P-C4' energy: -126.146 flat angles C4'-P-C4' energy: -154.458 flat angles P-C4'-P energy: -101.615 tors. eta vs tors. theta energy: -219.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2643.390501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.390501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.390501 (E_RNA) where: Base-Base interactions energy: -1911.271 where: short stacking energy: -736.146 Base-Backbone interact. energy: -2.299 local terms energy: -729.819971 where: bonds (distance) C4'-P energy: -122.687 bonds (distance) P-C4' energy: -125.482 flat angles C4'-P-C4' energy: -152.466 flat angles P-C4'-P energy: -106.347 tors. eta vs tors. theta energy: -222.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2601.469570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.469570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.469570 (E_RNA) where: Base-Base interactions energy: -1907.371 where: short stacking energy: -742.771 Base-Backbone interact. energy: 2.080 local terms energy: -696.178306 where: bonds (distance) C4'-P energy: -115.919 bonds (distance) P-C4' energy: -127.392 flat angles C4'-P-C4' energy: -135.509 flat angles P-C4'-P energy: -95.117 tors. eta vs tors. theta energy: -222.241 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: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2525.667916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.667916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.667916 (E_RNA) where: Base-Base interactions energy: -1836.596 where: short stacking energy: -710.173 Base-Backbone interact. energy: 0.907 local terms energy: -689.979273 where: bonds (distance) C4'-P energy: -120.422 bonds (distance) P-C4' energy: -121.653 flat angles C4'-P-C4' energy: -142.543 flat angles P-C4'-P energy: -96.679 tors. eta vs tors. theta energy: -208.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2498.984808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.984808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.984808 (E_RNA) where: Base-Base interactions energy: -1853.843 where: short stacking energy: -716.733 Base-Backbone interact. energy: 0.310 local terms energy: -645.451836 where: bonds (distance) C4'-P energy: -89.207 bonds (distance) P-C4' energy: -110.465 flat angles C4'-P-C4' energy: -135.129 flat angles P-C4'-P energy: -103.960 tors. eta vs tors. theta energy: -206.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2390.357538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.357538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.357538 (E_RNA) where: Base-Base interactions energy: -1759.583 where: short stacking energy: -680.700 Base-Backbone interact. energy: 0.450 local terms energy: -631.225057 where: bonds (distance) C4'-P energy: -104.761 bonds (distance) P-C4' energy: -102.916 flat angles C4'-P-C4' energy: -140.452 flat angles P-C4'-P energy: -88.353 tors. eta vs tors. theta energy: -194.743 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: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2329.518578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.518578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.518578 (E_RNA) where: Base-Base interactions energy: -1719.624 where: short stacking energy: -682.676 Base-Backbone interact. energy: 0.398 local terms energy: -610.292064 where: bonds (distance) C4'-P energy: -92.450 bonds (distance) P-C4' energy: -93.426 flat angles C4'-P-C4' energy: -128.669 flat angles P-C4'-P energy: -94.387 tors. eta vs tors. theta energy: -201.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2204.219567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.219567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.219567 (E_RNA) where: Base-Base interactions energy: -1592.668 where: short stacking energy: -616.938 Base-Backbone interact. energy: -1.648 local terms energy: -609.903386 where: bonds (distance) C4'-P energy: -116.821 bonds (distance) P-C4' energy: -84.810 flat angles C4'-P-C4' energy: -136.402 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -186.580 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: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -2021.746246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.746246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.746246 (E_RNA) where: Base-Base interactions energy: -1481.703 where: short stacking energy: -558.362 Base-Backbone interact. energy: -0.272 local terms energy: -539.771313 where: bonds (distance) C4'-P energy: -93.113 bonds (distance) P-C4' energy: -108.268 flat angles C4'-P-C4' energy: -103.426 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -159.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1711.140259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.140259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.140259 (E_RNA) where: Base-Base interactions energy: -1241.787 where: short stacking energy: -486.565 Base-Backbone interact. energy: -2.093 local terms energy: -467.260683 where: bonds (distance) C4'-P energy: -70.947 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -111.376 flat angles P-C4'-P energy: -53.960 tors. eta vs tors. theta energy: -120.003 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: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2659.460564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.460564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.460564 (E_RNA) where: Base-Base interactions energy: -1937.358 where: short stacking energy: -761.682 Base-Backbone interact. energy: 0.143 local terms energy: -722.245126 where: bonds (distance) C4'-P energy: -127.755 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -152.035 flat angles P-C4'-P energy: -104.445 tors. eta vs tors. theta energy: -220.695 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: 446 Temperature: 0.950000 Total energy: -2665.640327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.640327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.640327 (E_RNA) where: Base-Base interactions energy: -1925.481 where: short stacking energy: -760.250 Base-Backbone interact. energy: -2.876 local terms energy: -737.283705 where: bonds (distance) C4'-P energy: -131.297 bonds (distance) P-C4' energy: -125.785 flat angles C4'-P-C4' energy: -158.507 flat angles P-C4'-P energy: -96.112 tors. eta vs tors. theta energy: -225.583 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: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2594.868521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.868521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.868521 (E_RNA) where: Base-Base interactions energy: -1889.723 where: short stacking energy: -738.018 Base-Backbone interact. energy: 1.092 local terms energy: -706.236918 where: bonds (distance) C4'-P energy: -115.943 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -149.353 flat angles P-C4'-P energy: -105.886 tors. eta vs tors. theta energy: -217.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2521.342078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.342078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.342078 (E_RNA) where: Base-Base interactions energy: -1826.566 where: short stacking energy: -718.964 Base-Backbone interact. energy: -2.858 local terms energy: -691.917826 where: bonds (distance) C4'-P energy: -121.285 bonds (distance) P-C4' energy: -109.570 flat angles C4'-P-C4' energy: -139.616 flat angles P-C4'-P energy: -107.727 tors. eta vs tors. theta energy: -213.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2510.999950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.999950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.999950 (E_RNA) where: Base-Base interactions energy: -1866.570 where: short stacking energy: -712.013 Base-Backbone interact. energy: 0.930 local terms energy: -645.359815 where: bonds (distance) C4'-P energy: -120.490 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -135.733 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -208.940 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: 6, replica: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2375.794186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.794186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.794186 (E_RNA) where: Base-Base interactions energy: -1741.746 where: short stacking energy: -664.991 Base-Backbone interact. energy: 2.232 local terms energy: -636.279713 where: bonds (distance) C4'-P energy: -113.132 bonds (distance) P-C4' energy: -113.635 flat angles C4'-P-C4' energy: -132.619 flat angles P-C4'-P energy: -73.087 tors. eta vs tors. theta energy: -203.807 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: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2366.484194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.484194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.484194 (E_RNA) where: Base-Base interactions energy: -1733.025 where: short stacking energy: -654.484 Base-Backbone interact. energy: -0.391 local terms energy: -633.067440 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -93.700 flat angles C4'-P-C4' energy: -126.469 flat angles P-C4'-P energy: -95.295 tors. eta vs tors. theta energy: -199.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2261.055586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.055586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.055586 (E_RNA) where: Base-Base interactions energy: -1659.344 where: short stacking energy: -644.072 Base-Backbone interact. energy: -0.796 local terms energy: -600.916154 where: bonds (distance) C4'-P energy: -94.280 bonds (distance) P-C4' energy: -92.081 flat angles C4'-P-C4' energy: -120.907 flat angles P-C4'-P energy: -100.081 tors. eta vs tors. theta energy: -193.568 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: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -2053.971899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.971899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.971899 (E_RNA) where: Base-Base interactions energy: -1472.181 where: short stacking energy: -588.122 Base-Backbone interact. energy: 1.395 local terms energy: -583.185959 where: bonds (distance) C4'-P energy: -91.877 bonds (distance) P-C4' energy: -104.629 flat angles C4'-P-C4' energy: -126.099 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -178.539 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: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1804.431122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.431122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.431122 (E_RNA) where: Base-Base interactions energy: -1308.499 where: short stacking energy: -518.207 Base-Backbone interact. energy: -0.520 local terms energy: -495.411771 where: bonds (distance) C4'-P energy: -91.411 bonds (distance) P-C4' energy: -77.275 flat angles C4'-P-C4' energy: -113.556 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -137.443 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: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2670.545488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.545488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.545488 (E_RNA) where: Base-Base interactions energy: -1948.561 where: short stacking energy: -757.515 Base-Backbone interact. energy: 0.622 local terms energy: -722.606544 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -132.071 flat angles C4'-P-C4' energy: -149.994 flat angles P-C4'-P energy: -102.974 tors. eta vs tors. theta energy: -223.496 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: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2647.111188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.111188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.111188 (E_RNA) where: Base-Base interactions energy: -1944.045 where: short stacking energy: -760.701 Base-Backbone interact. energy: -0.085 local terms energy: -702.981475 where: bonds (distance) C4'-P energy: -119.487 bonds (distance) P-C4' energy: -125.078 flat angles C4'-P-C4' energy: -141.902 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: -219.058 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: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2597.662411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.662411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.662411 (E_RNA) where: Base-Base interactions energy: -1900.507 where: short stacking energy: -740.683 Base-Backbone interact. energy: 0.683 local terms energy: -697.838410 where: bonds (distance) C4'-P energy: -114.219 bonds (distance) P-C4' energy: -109.809 flat angles C4'-P-C4' energy: -152.721 flat angles P-C4'-P energy: -102.547 tors. eta vs tors. theta energy: -218.542 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: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2511.063639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.063639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.063639 (E_RNA) where: Base-Base interactions energy: -1837.590 where: short stacking energy: -711.465 Base-Backbone interact. energy: -0.519 local terms energy: -672.954221 where: bonds (distance) C4'-P energy: -107.665 bonds (distance) P-C4' energy: -118.277 flat angles C4'-P-C4' energy: -138.872 flat angles P-C4'-P energy: -98.033 tors. eta vs tors. theta energy: -210.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2493.142806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.142806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.142806 (E_RNA) where: Base-Base interactions energy: -1827.303 where: short stacking energy: -700.437 Base-Backbone interact. energy: 3.546 local terms energy: -669.386170 where: bonds (distance) C4'-P energy: -112.364 bonds (distance) P-C4' energy: -114.952 flat angles C4'-P-C4' energy: -132.544 flat angles P-C4'-P energy: -103.915 tors. eta vs tors. theta energy: -205.613 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: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2390.662968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.662968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.662968 (E_RNA) where: Base-Base interactions energy: -1725.655 where: short stacking energy: -673.237 Base-Backbone interact. energy: -1.000 local terms energy: -664.007764 where: bonds (distance) C4'-P energy: -107.233 bonds (distance) P-C4' energy: -118.338 flat angles C4'-P-C4' energy: -142.569 flat angles P-C4'-P energy: -92.009 tors. eta vs tors. theta energy: -203.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2369.713041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.713041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.713041 (E_RNA) where: Base-Base interactions energy: -1721.782 where: short stacking energy: -678.490 Base-Backbone interact. energy: -0.429 local terms energy: -647.501918 where: bonds (distance) C4'-P energy: -96.826 bonds (distance) P-C4' energy: -124.184 flat angles C4'-P-C4' energy: -134.704 flat angles P-C4'-P energy: -90.223 tors. eta vs tors. theta energy: -201.565 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: 447 Temperature: 1.250000 Total energy: -2214.470088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.470088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.470088 (E_RNA) where: Base-Base interactions energy: -1620.771 where: short stacking energy: -634.459 Base-Backbone interact. energy: -4.177 local terms energy: -589.522111 where: bonds (distance) C4'-P energy: -91.457 bonds (distance) P-C4' energy: -92.985 flat angles C4'-P-C4' energy: -135.767 flat angles P-C4'-P energy: -80.779 tors. eta vs tors. theta energy: -188.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -2055.981689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.981689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.981689 (E_RNA) where: Base-Base interactions energy: -1508.129 where: short stacking energy: -574.754 Base-Backbone interact. energy: -1.850 local terms energy: -546.002016 where: bonds (distance) C4'-P energy: -95.621 bonds (distance) P-C4' energy: -82.601 flat angles C4'-P-C4' energy: -123.162 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -166.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1798.972259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.972259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.972259 (E_RNA) where: Base-Base interactions energy: -1272.979 where: short stacking energy: -498.468 Base-Backbone interact. energy: 0.189 local terms energy: -526.182415 where: bonds (distance) C4'-P energy: -91.429 bonds (distance) P-C4' energy: -102.701 flat angles C4'-P-C4' energy: -128.360 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: -136.824 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: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2691.692717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.692717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.692717 (E_RNA) where: Base-Base interactions energy: -1943.128 where: short stacking energy: -748.712 Base-Backbone interact. energy: 1.075 local terms energy: -749.639471 where: bonds (distance) C4'-P energy: -118.599 bonds (distance) P-C4' energy: -130.848 flat angles C4'-P-C4' energy: -154.715 flat angles P-C4'-P energy: -119.011 tors. eta vs tors. theta energy: -226.467 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: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2642.625738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.625738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.625738 (E_RNA) where: Base-Base interactions energy: -1940.561 where: short stacking energy: -745.582 Base-Backbone interact. energy: -1.401 local terms energy: -700.664043 where: bonds (distance) C4'-P energy: -108.672 bonds (distance) P-C4' energy: -133.298 flat angles C4'-P-C4' energy: -150.940 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -216.137 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: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2594.132530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.132530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.132530 (E_RNA) where: Base-Base interactions energy: -1888.007 where: short stacking energy: -732.583 Base-Backbone interact. energy: 0.542 local terms energy: -706.666947 where: bonds (distance) C4'-P energy: -114.675 bonds (distance) P-C4' energy: -122.837 flat angles C4'-P-C4' energy: -141.409 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -226.661 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: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2503.751187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.751187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.751187 (E_RNA) where: Base-Base interactions energy: -1807.356 where: short stacking energy: -712.151 Base-Backbone interact. energy: -1.449 local terms energy: -694.945343 where: bonds (distance) C4'-P energy: -120.992 bonds (distance) P-C4' energy: -118.003 flat angles C4'-P-C4' energy: -142.279 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -209.160 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: 448 Temperature: 1.100000 Total energy: -2496.636154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.636154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.636154 (E_RNA) where: Base-Base interactions energy: -1822.711 where: short stacking energy: -718.986 Base-Backbone interact. energy: -2.131 local terms energy: -671.793935 where: bonds (distance) C4'-P energy: -117.287 bonds (distance) P-C4' energy: -122.058 flat angles C4'-P-C4' energy: -136.137 flat angles P-C4'-P energy: -87.103 tors. eta vs tors. theta energy: -209.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2381.078091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.078091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.078091 (E_RNA) where: Base-Base interactions energy: -1728.445 where: short stacking energy: -662.734 Base-Backbone interact. energy: -0.778 local terms energy: -651.855259 where: bonds (distance) C4'-P energy: -112.980 bonds (distance) P-C4' energy: -117.035 flat angles C4'-P-C4' energy: -139.223 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -197.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2364.482320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.482320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.482320 (E_RNA) where: Base-Base interactions energy: -1708.255 where: short stacking energy: -653.646 Base-Backbone interact. energy: -2.247 local terms energy: -653.979655 where: bonds (distance) C4'-P energy: -104.517 bonds (distance) P-C4' energy: -114.082 flat angles C4'-P-C4' energy: -139.581 flat angles P-C4'-P energy: -86.989 tors. eta vs tors. theta energy: -208.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2217.390404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.390404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.390404 (E_RNA) where: Base-Base interactions energy: -1612.469 where: short stacking energy: -621.437 Base-Backbone interact. energy: -0.323 local terms energy: -604.598304 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -121.361 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -189.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -2030.872051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.872051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.872051 (E_RNA) where: Base-Base interactions energy: -1455.590 where: short stacking energy: -553.364 Base-Backbone interact. energy: -2.667 local terms energy: -572.614792 where: bonds (distance) C4'-P energy: -101.624 bonds (distance) P-C4' energy: -103.546 flat angles C4'-P-C4' energy: -129.440 flat angles P-C4'-P energy: -84.876 tors. eta vs tors. theta energy: -153.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1802.062773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.062773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.062773 (E_RNA) where: Base-Base interactions energy: -1286.363 where: short stacking energy: -511.369 Base-Backbone interact. energy: -1.038 local terms energy: -514.662149 where: bonds (distance) C4'-P energy: -89.268 bonds (distance) P-C4' energy: -93.241 flat angles C4'-P-C4' energy: -104.591 flat angles P-C4'-P energy: -72.515 tors. eta vs tors. theta energy: -155.047 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: 449 Temperature: 0.900000 Total energy: -2706.830421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.830421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.830421 (E_RNA) where: Base-Base interactions energy: -1952.405 where: short stacking energy: -762.659 Base-Backbone interact. energy: 0.506 local terms energy: -754.931335 where: bonds (distance) C4'-P energy: -136.606 bonds (distance) P-C4' energy: -133.719 flat angles C4'-P-C4' energy: -153.685 flat angles P-C4'-P energy: -105.891 tors. eta vs tors. theta energy: -225.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2643.417570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.417570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.417570 (E_RNA) where: Base-Base interactions energy: -1943.767 where: short stacking energy: -753.791 Base-Backbone interact. energy: -0.890 local terms energy: -698.760594 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -106.994 flat angles C4'-P-C4' energy: -149.544 flat angles P-C4'-P energy: -93.894 tors. eta vs tors. theta energy: -221.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2597.220990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.220990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.220990 (E_RNA) where: Base-Base interactions energy: -1886.018 where: short stacking energy: -735.251 Base-Backbone interact. energy: 1.887 local terms energy: -713.089821 where: bonds (distance) C4'-P energy: -124.952 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -152.870 flat angles P-C4'-P energy: -109.362 tors. eta vs tors. theta energy: -221.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2510.643440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.643440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.643440 (E_RNA) where: Base-Base interactions energy: -1829.408 where: short stacking energy: -709.831 Base-Backbone interact. energy: -1.718 local terms energy: -679.517734 where: bonds (distance) C4'-P energy: -121.044 bonds (distance) P-C4' energy: -110.090 flat angles C4'-P-C4' energy: -141.017 flat angles P-C4'-P energy: -85.386 tors. eta vs tors. theta energy: -221.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2497.006403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.006403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.006403 (E_RNA) where: Base-Base interactions energy: -1835.934 where: short stacking energy: -712.147 Base-Backbone interact. energy: -0.769 local terms energy: -660.302858 where: bonds (distance) C4'-P energy: -116.659 bonds (distance) P-C4' energy: -96.009 flat angles C4'-P-C4' energy: -145.816 flat angles P-C4'-P energy: -95.577 tors. eta vs tors. theta energy: -206.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2418.814087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.814087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.814087 (E_RNA) where: Base-Base interactions energy: -1770.334 where: short stacking energy: -664.241 Base-Backbone interact. energy: 1.833 local terms energy: -650.313155 where: bonds (distance) C4'-P energy: -120.601 bonds (distance) P-C4' energy: -116.683 flat angles C4'-P-C4' energy: -123.681 flat angles P-C4'-P energy: -95.631 tors. eta vs tors. theta energy: -193.717 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: 449 Temperature: 1.200000 Total energy: -2359.942810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.942810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.942810 (E_RNA) where: Base-Base interactions energy: -1720.794 where: short stacking energy: -667.076 Base-Backbone interact. energy: -0.224 local terms energy: -638.924786 where: bonds (distance) C4'-P energy: -104.733 bonds (distance) P-C4' energy: -121.249 flat angles C4'-P-C4' energy: -125.428 flat angles P-C4'-P energy: -89.279 tors. eta vs tors. theta energy: -198.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2217.358778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.358778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.358778 (E_RNA) where: Base-Base interactions energy: -1624.229 where: short stacking energy: -619.289 Base-Backbone interact. energy: -1.147 local terms energy: -591.982312 where: bonds (distance) C4'-P energy: -89.131 bonds (distance) P-C4' energy: -83.550 flat angles C4'-P-C4' energy: -128.855 flat angles P-C4'-P energy: -101.033 tors. eta vs tors. theta energy: -189.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -2053.559523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.559523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.559523 (E_RNA) where: Base-Base interactions energy: -1470.343 where: short stacking energy: -573.637 Base-Backbone interact. energy: -0.313 local terms energy: -582.902601 where: bonds (distance) C4'-P energy: -106.817 bonds (distance) P-C4' energy: -86.313 flat angles C4'-P-C4' energy: -126.617 flat angles P-C4'-P energy: -88.403 tors. eta vs tors. theta energy: -174.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1770.690940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.690940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.690940 (E_RNA) where: Base-Base interactions energy: -1245.687 where: short stacking energy: -481.505 Base-Backbone interact. energy: 3.706 local terms energy: -528.709582 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -91.819 flat angles C4'-P-C4' energy: -112.729 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -140.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2692.301739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.301739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.301739 (E_RNA) where: Base-Base interactions energy: -1971.393 where: short stacking energy: -773.934 Base-Backbone interact. energy: -0.167 local terms energy: -720.741185 where: bonds (distance) C4'-P energy: -123.305 bonds (distance) P-C4' energy: -118.784 flat angles C4'-P-C4' energy: -157.653 flat angles P-C4'-P energy: -96.061 tors. eta vs tors. theta energy: -224.937 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: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2632.100876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.100876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.100876 (E_RNA) where: Base-Base interactions energy: -1925.648 where: short stacking energy: -738.710 Base-Backbone interact. energy: -2.510 local terms energy: -703.942273 where: bonds (distance) C4'-P energy: -122.725 bonds (distance) P-C4' energy: -112.462 flat angles C4'-P-C4' energy: -149.680 flat angles P-C4'-P energy: -99.552 tors. eta vs tors. theta energy: -219.524 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: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2610.844632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.844632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.844632 (E_RNA) where: Base-Base interactions energy: -1886.539 where: short stacking energy: -737.082 Base-Backbone interact. energy: -3.058 local terms energy: -721.247891 where: bonds (distance) C4'-P energy: -116.835 bonds (distance) P-C4' energy: -118.457 flat angles C4'-P-C4' energy: -156.716 flat angles P-C4'-P energy: -106.607 tors. eta vs tors. theta energy: -222.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2510.997473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.997473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.997473 (E_RNA) where: Base-Base interactions energy: -1832.924 where: short stacking energy: -705.930 Base-Backbone interact. energy: 1.318 local terms energy: -679.391954 where: bonds (distance) C4'-P energy: -107.691 bonds (distance) P-C4' energy: -118.577 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -90.382 tors. eta vs tors. theta energy: -220.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2532.702567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.702567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.702567 (E_RNA) where: Base-Base interactions energy: -1873.194 where: short stacking energy: -726.046 Base-Backbone interact. energy: -2.392 local terms energy: -657.115587 where: bonds (distance) C4'-P energy: -106.423 bonds (distance) P-C4' energy: -102.963 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -91.944 tors. eta vs tors. theta energy: -211.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2414.688711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.688711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.688711 (E_RNA) where: Base-Base interactions energy: -1798.785 where: short stacking energy: -685.550 Base-Backbone interact. energy: 2.051 local terms energy: -617.955511 where: bonds (distance) C4'-P energy: -109.367 bonds (distance) P-C4' energy: -82.867 flat angles C4'-P-C4' energy: -135.740 flat angles P-C4'-P energy: -86.417 tors. eta vs tors. theta energy: -203.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2352.445213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.445213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.445213 (E_RNA) where: Base-Base interactions energy: -1714.394 where: short stacking energy: -663.358 Base-Backbone interact. energy: 2.455 local terms energy: -640.505840 where: bonds (distance) C4'-P energy: -98.384 bonds (distance) P-C4' energy: -108.938 flat angles C4'-P-C4' energy: -141.769 flat angles P-C4'-P energy: -94.587 tors. eta vs tors. theta energy: -196.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2211.941579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.941579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.941579 (E_RNA) where: Base-Base interactions energy: -1626.237 where: short stacking energy: -647.481 Base-Backbone interact. energy: -1.174 local terms energy: -584.531126 where: bonds (distance) C4'-P energy: -97.329 bonds (distance) P-C4' energy: -80.650 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -179.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -2058.997791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.997791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.997791 (E_RNA) where: Base-Base interactions energy: -1517.683 where: short stacking energy: -608.675 Base-Backbone interact. energy: 3.580 local terms energy: -544.894782 where: bonds (distance) C4'-P energy: -72.904 bonds (distance) P-C4' energy: -85.875 flat angles C4'-P-C4' energy: -132.680 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -178.300 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: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1781.274118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.274118 (E_RNA) where: Base-Base interactions energy: -1247.320 where: short stacking energy: -496.674 Base-Backbone interact. energy: -1.875 local terms energy: -532.079555 where: bonds (distance) C4'-P energy: -108.206 bonds (distance) P-C4' energy: -110.030 flat angles C4'-P-C4' energy: -123.425 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -135.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2695.507225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.507225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.507225 (E_RNA) where: Base-Base interactions energy: -1956.759 where: short stacking energy: -752.084 Base-Backbone interact. energy: -1.708 local terms energy: -737.040204 where: bonds (distance) C4'-P energy: -125.105 bonds (distance) P-C4' energy: -134.159 flat angles C4'-P-C4' energy: -151.987 flat angles P-C4'-P energy: -100.462 tors. eta vs tors. theta energy: -225.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2633.081053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.081053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.081053 (E_RNA) where: Base-Base interactions energy: -1936.396 where: short stacking energy: -757.549 Base-Backbone interact. energy: -2.806 local terms energy: -693.878996 where: bonds (distance) C4'-P energy: -131.732 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -145.231 flat angles P-C4'-P energy: -84.520 tors. eta vs tors. theta energy: -226.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2606.642756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.642756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.642756 (E_RNA) where: Base-Base interactions energy: -1909.201 where: short stacking energy: -741.576 Base-Backbone interact. energy: -1.389 local terms energy: -696.053101 where: bonds (distance) C4'-P energy: -120.408 bonds (distance) P-C4' energy: -105.688 flat angles C4'-P-C4' energy: -153.861 flat angles P-C4'-P energy: -99.278 tors. eta vs tors. theta energy: -216.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2523.486300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.486300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.486300 (E_RNA) where: Base-Base interactions energy: -1850.304 where: short stacking energy: -718.274 Base-Backbone interact. energy: 2.022 local terms energy: -675.204631 where: bonds (distance) C4'-P energy: -111.389 bonds (distance) P-C4' energy: -118.017 flat angles C4'-P-C4' energy: -139.956 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -207.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2497.562414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.562414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.562414 (E_RNA) where: Base-Base interactions energy: -1787.823 where: short stacking energy: -709.241 Base-Backbone interact. energy: 0.572 local terms energy: -710.311833 where: bonds (distance) C4'-P energy: -120.782 bonds (distance) P-C4' energy: -107.022 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -110.468 tors. eta vs tors. theta energy: -218.829 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: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2382.262791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.262791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.262791 (E_RNA) where: Base-Base interactions energy: -1756.821 where: short stacking energy: -674.079 Base-Backbone interact. energy: -0.104 local terms energy: -625.338077 where: bonds (distance) C4'-P energy: -103.364 bonds (distance) P-C4' energy: -100.712 flat angles C4'-P-C4' energy: -130.862 flat angles P-C4'-P energy: -97.115 tors. eta vs tors. theta energy: -193.285 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: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2379.218082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.218082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.218082 (E_RNA) where: Base-Base interactions energy: -1735.649 where: short stacking energy: -662.769 Base-Backbone interact. energy: 0.327 local terms energy: -643.895650 where: bonds (distance) C4'-P energy: -97.823 bonds (distance) P-C4' energy: -121.616 flat angles C4'-P-C4' energy: -138.322 flat angles P-C4'-P energy: -85.514 tors. eta vs tors. theta energy: -200.620 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: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2180.595644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.595644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.595644 (E_RNA) where: Base-Base interactions energy: -1618.331 where: short stacking energy: -630.394 Base-Backbone interact. energy: -2.803 local terms energy: -559.461987 where: bonds (distance) C4'-P energy: -104.739 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -112.852 flat angles P-C4'-P energy: -75.131 tors. eta vs tors. theta energy: -194.068 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: 451 Temperature: 1.300000 Total energy: -2035.543743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.543743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.543743 (E_RNA) where: Base-Base interactions energy: -1471.514 where: short stacking energy: -563.447 Base-Backbone interact. energy: -0.607 local terms energy: -563.422037 where: bonds (distance) C4'-P energy: -96.023 bonds (distance) P-C4' energy: -114.592 flat angles C4'-P-C4' energy: -121.777 flat angles P-C4'-P energy: -70.275 tors. eta vs tors. theta energy: -160.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1804.701169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.701169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.701169 (E_RNA) where: Base-Base interactions energy: -1261.412 where: short stacking energy: -485.996 Base-Backbone interact. energy: 5.924 local terms energy: -549.212331 where: bonds (distance) C4'-P energy: -104.075 bonds (distance) P-C4' energy: -100.652 flat angles C4'-P-C4' energy: -136.563 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -130.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2701.176941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.176941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.176941 (E_RNA) where: Base-Base interactions energy: -1957.416 where: short stacking energy: -751.360 Base-Backbone interact. energy: -1.469 local terms energy: -742.292231 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -133.378 flat angles C4'-P-C4' energy: -153.191 flat angles P-C4'-P energy: -103.168 tors. eta vs tors. theta energy: -226.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2644.875879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.875879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.875879 (E_RNA) where: Base-Base interactions energy: -1932.277 where: short stacking energy: -761.924 Base-Backbone interact. energy: -3.376 local terms energy: -709.222524 where: bonds (distance) C4'-P energy: -110.597 bonds (distance) P-C4' energy: -122.234 flat angles C4'-P-C4' energy: -149.108 flat angles P-C4'-P energy: -99.644 tors. eta vs tors. theta energy: -227.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2589.506711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.506711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.506711 (E_RNA) where: Base-Base interactions energy: -1889.589 where: short stacking energy: -717.966 Base-Backbone interact. energy: 2.078 local terms energy: -701.995504 where: bonds (distance) C4'-P energy: -128.234 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -139.593 flat angles P-C4'-P energy: -103.503 tors. eta vs tors. theta energy: -207.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2558.921364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.921364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.921364 (E_RNA) where: Base-Base interactions energy: -1887.709 where: short stacking energy: -745.517 Base-Backbone interact. energy: -0.638 local terms energy: -670.574476 where: bonds (distance) C4'-P energy: -117.626 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -129.996 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -226.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2466.226236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.226236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.226236 (E_RNA) where: Base-Base interactions energy: -1782.539 where: short stacking energy: -682.810 Base-Backbone interact. energy: -0.261 local terms energy: -683.425941 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -114.878 flat angles C4'-P-C4' energy: -141.060 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -210.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2400.119759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.119759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.119759 (E_RNA) where: Base-Base interactions energy: -1763.170 where: short stacking energy: -655.800 Base-Backbone interact. energy: -0.959 local terms energy: -635.990583 where: bonds (distance) C4'-P energy: -105.036 bonds (distance) P-C4' energy: -105.959 flat angles C4'-P-C4' energy: -147.160 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -193.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2369.699536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.699536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.699536 (E_RNA) where: Base-Base interactions energy: -1722.767 where: short stacking energy: -686.350 Base-Backbone interact. energy: 0.784 local terms energy: -647.716701 where: bonds (distance) C4'-P energy: -117.288 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -133.513 flat angles P-C4'-P energy: -97.825 tors. eta vs tors. theta energy: -215.383 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: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2184.449302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.449302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.449302 (E_RNA) where: Base-Base interactions energy: -1620.532 where: short stacking energy: -611.852 Base-Backbone interact. energy: 4.861 local terms energy: -568.777815 where: bonds (distance) C4'-P energy: -99.804 bonds (distance) P-C4' energy: -104.396 flat angles C4'-P-C4' energy: -115.294 flat angles P-C4'-P energy: -66.886 tors. eta vs tors. theta energy: -182.399 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: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -2027.245784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.245784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.245784 (E_RNA) where: Base-Base interactions energy: -1482.920 where: short stacking energy: -587.060 Base-Backbone interact. energy: -1.637 local terms energy: -542.688630 where: bonds (distance) C4'-P energy: -82.769 bonds (distance) P-C4' energy: -97.967 flat angles C4'-P-C4' energy: -118.008 flat angles P-C4'-P energy: -79.841 tors. eta vs tors. theta energy: -164.105 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: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1757.245976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.245976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.245976 (E_RNA) where: Base-Base interactions energy: -1262.513 where: short stacking energy: -499.652 Base-Backbone interact. energy: -0.309 local terms energy: -494.424509 where: bonds (distance) C4'-P energy: -99.761 bonds (distance) P-C4' energy: -95.062 flat angles C4'-P-C4' energy: -105.758 flat angles P-C4'-P energy: -71.827 tors. eta vs tors. theta energy: -122.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2682.189815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.189815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.189815 (E_RNA) where: Base-Base interactions energy: -1955.363 where: short stacking energy: -750.104 Base-Backbone interact. energy: -1.469 local terms energy: -725.357691 where: bonds (distance) C4'-P energy: -121.517 bonds (distance) P-C4' energy: -121.340 flat angles C4'-P-C4' energy: -150.525 flat angles P-C4'-P energy: -111.280 tors. eta vs tors. theta energy: -220.695 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: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2648.736638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.736638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.736638 (E_RNA) where: Base-Base interactions energy: -1948.802 where: short stacking energy: -744.707 Base-Backbone interact. energy: -1.798 local terms energy: -698.136938 where: bonds (distance) C4'-P energy: -101.582 bonds (distance) P-C4' energy: -123.204 flat angles C4'-P-C4' energy: -148.734 flat angles P-C4'-P energy: -99.518 tors. eta vs tors. theta energy: -225.100 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: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2566.067941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.067941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.067941 (E_RNA) where: Base-Base interactions energy: -1888.236 where: short stacking energy: -728.370 Base-Backbone interact. energy: 2.805 local terms energy: -680.636385 where: bonds (distance) C4'-P energy: -117.283 bonds (distance) P-C4' energy: -112.274 flat angles C4'-P-C4' energy: -148.235 flat angles P-C4'-P energy: -97.551 tors. eta vs tors. theta energy: -205.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2567.829433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.829433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.829433 (E_RNA) where: Base-Base interactions energy: -1869.772 where: short stacking energy: -728.952 Base-Backbone interact. energy: -2.050 local terms energy: -696.007638 where: bonds (distance) C4'-P energy: -119.977 bonds (distance) P-C4' energy: -119.215 flat angles C4'-P-C4' energy: -143.084 flat angles P-C4'-P energy: -99.671 tors. eta vs tors. theta energy: -214.061 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: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2472.586575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.586575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.586575 (E_RNA) where: Base-Base interactions energy: -1813.770 where: short stacking energy: -712.731 Base-Backbone interact. energy: -0.899 local terms energy: -657.917666 where: bonds (distance) C4'-P energy: -106.687 bonds (distance) P-C4' energy: -104.842 flat angles C4'-P-C4' energy: -142.157 flat angles P-C4'-P energy: -86.063 tors. eta vs tors. theta energy: -218.169 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: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2406.668426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.668426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.668426 (E_RNA) where: Base-Base interactions energy: -1753.234 where: short stacking energy: -684.672 Base-Backbone interact. energy: -0.049 local terms energy: -653.385384 where: bonds (distance) C4'-P energy: -112.258 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -132.504 flat angles P-C4'-P energy: -95.715 tors. eta vs tors. theta energy: -201.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2336.275515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.275515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.275515 (E_RNA) where: Base-Base interactions energy: -1736.373 where: short stacking energy: -666.409 Base-Backbone interact. energy: 0.702 local terms energy: -600.603764 where: bonds (distance) C4'-P energy: -97.606 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -127.041 flat angles P-C4'-P energy: -79.113 tors. eta vs tors. theta energy: -195.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2261.051723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.051723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.051723 (E_RNA) where: Base-Base interactions energy: -1657.492 where: short stacking energy: -658.122 Base-Backbone interact. energy: 4.055 local terms energy: -607.614393 where: bonds (distance) C4'-P energy: -109.430 bonds (distance) P-C4' energy: -95.690 flat angles C4'-P-C4' energy: -122.034 flat angles P-C4'-P energy: -84.032 tors. eta vs tors. theta energy: -196.427 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: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -2031.896962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.896962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.896962 (E_RNA) where: Base-Base interactions energy: -1486.933 where: short stacking energy: -581.298 Base-Backbone interact. energy: -2.182 local terms energy: -542.781984 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -97.604 flat angles C4'-P-C4' energy: -121.078 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -160.052 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: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1787.818010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.818010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.818010 (E_RNA) where: Base-Base interactions energy: -1282.761 where: short stacking energy: -513.864 Base-Backbone interact. energy: -0.078 local terms energy: -504.979179 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -85.968 flat angles C4'-P-C4' energy: -124.165 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -136.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2684.799185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.799185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.799185 (E_RNA) where: Base-Base interactions energy: -1956.927 where: short stacking energy: -761.848 Base-Backbone interact. energy: -2.032 local terms energy: -725.839475 where: bonds (distance) C4'-P energy: -129.989 bonds (distance) P-C4' energy: -120.678 flat angles C4'-P-C4' energy: -146.650 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -225.476 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: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2638.513147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.513147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.513147 (E_RNA) where: Base-Base interactions energy: -1928.019 where: short stacking energy: -749.938 Base-Backbone interact. energy: 2.261 local terms energy: -712.755407 where: bonds (distance) C4'-P energy: -124.105 bonds (distance) P-C4' energy: -109.938 flat angles C4'-P-C4' energy: -153.201 flat angles P-C4'-P energy: -96.938 tors. eta vs tors. theta energy: -228.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2598.002811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.002811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.002811 (E_RNA) where: Base-Base interactions energy: -1894.370 where: short stacking energy: -748.693 Base-Backbone interact. energy: -0.473 local terms energy: -703.160352 where: bonds (distance) C4'-P energy: -129.241 bonds (distance) P-C4' energy: -116.702 flat angles C4'-P-C4' energy: -144.409 flat angles P-C4'-P energy: -101.551 tors. eta vs tors. theta energy: -211.257 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: 4 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2534.765850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.765850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.765850 (E_RNA) where: Base-Base interactions energy: -1839.963 where: short stacking energy: -710.737 Base-Backbone interact. energy: -1.020 local terms energy: -693.782651 where: bonds (distance) C4'-P energy: -115.020 bonds (distance) P-C4' energy: -119.530 flat angles C4'-P-C4' energy: -146.709 flat angles P-C4'-P energy: -99.448 tors. eta vs tors. theta energy: -213.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2440.750124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.750124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.750124 (E_RNA) where: Base-Base interactions energy: -1761.012 where: short stacking energy: -681.951 Base-Backbone interact. energy: -1.009 local terms energy: -678.729101 where: bonds (distance) C4'-P energy: -107.442 bonds (distance) P-C4' energy: -115.603 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -102.146 tors. eta vs tors. theta energy: -204.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2433.857478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.857478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.857478 (E_RNA) where: Base-Base interactions energy: -1797.178 where: short stacking energy: -689.064 Base-Backbone interact. energy: 2.450 local terms energy: -639.129666 where: bonds (distance) C4'-P energy: -103.042 bonds (distance) P-C4' energy: -96.369 flat angles C4'-P-C4' energy: -130.864 flat angles P-C4'-P energy: -103.862 tors. eta vs tors. theta energy: -204.993 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: 3 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2386.810523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.810523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.810523 (E_RNA) where: Base-Base interactions energy: -1746.012 where: short stacking energy: -682.176 Base-Backbone interact. energy: 4.039 local terms energy: -644.837575 where: bonds (distance) C4'-P energy: -108.330 bonds (distance) P-C4' energy: -108.104 flat angles C4'-P-C4' energy: -136.209 flat angles P-C4'-P energy: -88.473 tors. eta vs tors. theta energy: -203.722 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: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2234.088817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.088817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.088817 (E_RNA) where: Base-Base interactions energy: -1633.747 where: short stacking energy: -669.772 Base-Backbone interact. energy: 0.581 local terms energy: -600.922549 where: bonds (distance) C4'-P energy: -92.503 bonds (distance) P-C4' energy: -101.068 flat angles C4'-P-C4' energy: -132.358 flat angles P-C4'-P energy: -82.024 tors. eta vs tors. theta energy: -192.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1984.511009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.511009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.511009 (E_RNA) where: Base-Base interactions energy: -1443.231 where: short stacking energy: -546.465 Base-Backbone interact. energy: 0.335 local terms energy: -541.615549 where: bonds (distance) C4'-P energy: -99.316 bonds (distance) P-C4' energy: -96.413 flat angles C4'-P-C4' energy: -128.140 flat angles P-C4'-P energy: -71.996 tors. eta vs tors. theta energy: -145.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1795.009546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.009546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.009546 (E_RNA) where: Base-Base interactions energy: -1252.986 where: short stacking energy: -519.168 Base-Backbone interact. energy: 0.720 local terms energy: -542.743057 where: bonds (distance) C4'-P energy: -89.753 bonds (distance) P-C4' energy: -109.467 flat angles C4'-P-C4' energy: -126.381 flat angles P-C4'-P energy: -74.429 tors. eta vs tors. theta energy: -142.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2682.854932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.854932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.854932 (E_RNA) where: Base-Base interactions energy: -1940.436 where: short stacking energy: -758.774 Base-Backbone interact. energy: -0.987 local terms energy: -741.432291 where: bonds (distance) C4'-P energy: -136.268 bonds (distance) P-C4' energy: -113.781 flat angles C4'-P-C4' energy: -154.803 flat angles P-C4'-P energy: -109.747 tors. eta vs tors. theta energy: -226.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2623.165686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.165686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.165686 (E_RNA) where: Base-Base interactions energy: -1922.164 where: short stacking energy: -745.818 Base-Backbone interact. energy: 0.733 local terms energy: -701.735074 where: bonds (distance) C4'-P energy: -106.763 bonds (distance) P-C4' energy: -109.707 flat angles C4'-P-C4' energy: -151.276 flat angles P-C4'-P energy: -108.517 tors. eta vs tors. theta energy: -225.471 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: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2605.266911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.266911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.266911 (E_RNA) where: Base-Base interactions energy: -1872.835 where: short stacking energy: -733.946 Base-Backbone interact. energy: 0.107 local terms energy: -732.538754 where: bonds (distance) C4'-P energy: -124.368 bonds (distance) P-C4' energy: -136.951 flat angles C4'-P-C4' energy: -151.194 flat angles P-C4'-P energy: -99.326 tors. eta vs tors. theta energy: -220.699 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: 4 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2543.856597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.856597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.856597 (E_RNA) where: Base-Base interactions energy: -1857.649 where: short stacking energy: -719.520 Base-Backbone interact. energy: -1.989 local terms energy: -684.218919 where: bonds (distance) C4'-P energy: -102.665 bonds (distance) P-C4' energy: -128.792 flat angles C4'-P-C4' energy: -144.064 flat angles P-C4'-P energy: -102.624 tors. eta vs tors. theta energy: -206.074 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: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2431.096685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.096685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.096685 (E_RNA) where: Base-Base interactions energy: -1782.000 where: short stacking energy: -685.831 Base-Backbone interact. energy: -0.555 local terms energy: -648.540835 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -112.881 flat angles C4'-P-C4' energy: -143.242 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -210.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2448.296716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.296716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.296716 (E_RNA) where: Base-Base interactions energy: -1768.417 where: short stacking energy: -685.056 Base-Backbone interact. energy: -0.978 local terms energy: -678.901817 where: bonds (distance) C4'-P energy: -107.271 bonds (distance) P-C4' energy: -129.857 flat angles C4'-P-C4' energy: -139.447 flat angles P-C4'-P energy: -84.069 tors. eta vs tors. theta energy: -218.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2376.482125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.482125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.482125 (E_RNA) where: Base-Base interactions energy: -1745.926 where: short stacking energy: -679.773 Base-Backbone interact. energy: -1.614 local terms energy: -628.942802 where: bonds (distance) C4'-P energy: -97.322 bonds (distance) P-C4' energy: -105.696 flat angles C4'-P-C4' energy: -131.041 flat angles P-C4'-P energy: -97.387 tors. eta vs tors. theta energy: -197.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2204.609877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.609877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.609877 (E_RNA) where: Base-Base interactions energy: -1591.137 where: short stacking energy: -632.522 Base-Backbone interact. energy: -0.584 local terms energy: -612.888746 where: bonds (distance) C4'-P energy: -98.764 bonds (distance) P-C4' energy: -108.719 flat angles C4'-P-C4' energy: -126.810 flat angles P-C4'-P energy: -86.502 tors. eta vs tors. theta energy: -192.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1960.497191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.497191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.497191 (E_RNA) where: Base-Base interactions energy: -1420.247 where: short stacking energy: -531.237 Base-Backbone interact. energy: -2.432 local terms energy: -537.818603 where: bonds (distance) C4'-P energy: -85.959 bonds (distance) P-C4' energy: -103.767 flat angles C4'-P-C4' energy: -125.463 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -152.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1808.760420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.760420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.760420 (E_RNA) where: Base-Base interactions energy: -1278.380 where: short stacking energy: -500.992 Base-Backbone interact. energy: -1.348 local terms energy: -529.032716 where: bonds (distance) C4'-P energy: -94.119 bonds (distance) P-C4' energy: -102.755 flat angles C4'-P-C4' energy: -122.633 flat angles P-C4'-P energy: -70.738 tors. eta vs tors. theta energy: -138.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2700.518242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.518242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.518242 (E_RNA) where: Base-Base interactions energy: -1959.659 where: short stacking energy: -774.725 Base-Backbone interact. energy: -1.760 local terms energy: -739.099148 where: bonds (distance) C4'-P energy: -124.479 bonds (distance) P-C4' energy: -120.688 flat angles C4'-P-C4' energy: -156.251 flat angles P-C4'-P energy: -107.282 tors. eta vs tors. theta energy: -230.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2606.303731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.303731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.303731 (E_RNA) where: Base-Base interactions energy: -1910.881 where: short stacking energy: -732.342 Base-Backbone interact. energy: -1.062 local terms energy: -694.360966 where: bonds (distance) C4'-P energy: -117.788 bonds (distance) P-C4' energy: -122.156 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -89.710 tors. eta vs tors. theta energy: -216.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2613.103129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.103129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.103129 (E_RNA) where: Base-Base interactions energy: -1908.088 where: short stacking energy: -721.633 Base-Backbone interact. energy: 3.223 local terms energy: -708.238474 where: bonds (distance) C4'-P energy: -107.628 bonds (distance) P-C4' energy: -116.612 flat angles C4'-P-C4' energy: -157.391 flat angles P-C4'-P energy: -106.435 tors. eta vs tors. theta energy: -220.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2533.676191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.676191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.676191 (E_RNA) where: Base-Base interactions energy: -1860.261 where: short stacking energy: -715.682 Base-Backbone interact. energy: 0.690 local terms energy: -674.105694 where: bonds (distance) C4'-P energy: -119.443 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -138.261 flat angles P-C4'-P energy: -88.180 tors. eta vs tors. theta energy: -214.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2500.606860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.606860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.606860 (E_RNA) where: Base-Base interactions energy: -1831.113 where: short stacking energy: -704.413 Base-Backbone interact. energy: -1.632 local terms energy: -667.861841 where: bonds (distance) C4'-P energy: -107.139 bonds (distance) P-C4' energy: -101.839 flat angles C4'-P-C4' energy: -137.725 flat angles P-C4'-P energy: -108.421 tors. eta vs tors. theta energy: -212.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2424.702675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.702675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.702675 (E_RNA) where: Base-Base interactions energy: -1763.496 where: short stacking energy: -692.859 Base-Backbone interact. energy: -1.716 local terms energy: -659.490382 where: bonds (distance) C4'-P energy: -95.079 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -143.616 flat angles P-C4'-P energy: -108.039 tors. eta vs tors. theta energy: -207.693 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: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2377.403950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.403950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.403950 (E_RNA) where: Base-Base interactions energy: -1751.351 where: short stacking energy: -677.015 Base-Backbone interact. energy: 4.057 local terms energy: -630.109943 where: bonds (distance) C4'-P energy: -103.044 bonds (distance) P-C4' energy: -113.065 flat angles C4'-P-C4' energy: -137.541 flat angles P-C4'-P energy: -75.070 tors. eta vs tors. theta energy: -201.390 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: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2216.483419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.483419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.483419 (E_RNA) where: Base-Base interactions energy: -1601.188 where: short stacking energy: -639.818 Base-Backbone interact. energy: -2.398 local terms energy: -612.897243 where: bonds (distance) C4'-P energy: -86.024 bonds (distance) P-C4' energy: -119.287 flat angles C4'-P-C4' energy: -133.152 flat angles P-C4'-P energy: -88.048 tors. eta vs tors. theta energy: -186.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1851.428740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.428740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.428740 (E_RNA) where: Base-Base interactions energy: -1346.793 where: short stacking energy: -527.998 Base-Backbone interact. energy: -1.054 local terms energy: -503.581846 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -83.688 flat angles C4'-P-C4' energy: -108.495 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -144.464 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: 456 Temperature: 1.350000 Total energy: -1852.224517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.224517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.224517 (E_RNA) where: Base-Base interactions energy: -1328.311 where: short stacking energy: -516.263 Base-Backbone interact. energy: -0.895 local terms energy: -523.018702 where: bonds (distance) C4'-P energy: -106.878 bonds (distance) P-C4' energy: -90.331 flat angles C4'-P-C4' energy: -113.447 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -140.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2702.144850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.144850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.144850 (E_RNA) where: Base-Base interactions energy: -1986.546 where: short stacking energy: -778.419 Base-Backbone interact. energy: -1.469 local terms energy: -714.130329 where: bonds (distance) C4'-P energy: -111.350 bonds (distance) P-C4' energy: -118.584 flat angles C4'-P-C4' energy: -153.853 flat angles P-C4'-P energy: -103.050 tors. eta vs tors. theta energy: -227.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2622.634519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.634519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.634519 (E_RNA) where: Base-Base interactions energy: -1922.084 where: short stacking energy: -738.702 Base-Backbone interact. energy: -0.530 local terms energy: -700.020484 where: bonds (distance) C4'-P energy: -118.247 bonds (distance) P-C4' energy: -115.517 flat angles C4'-P-C4' energy: -148.954 flat angles P-C4'-P energy: -99.604 tors. eta vs tors. theta energy: -217.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2616.457544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.457544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.457544 (E_RNA) where: Base-Base interactions energy: -1896.579 where: short stacking energy: -737.560 Base-Backbone interact. energy: -1.441 local terms energy: -718.437567 where: bonds (distance) C4'-P energy: -118.287 bonds (distance) P-C4' energy: -113.538 flat angles C4'-P-C4' energy: -150.450 flat angles P-C4'-P energy: -111.818 tors. eta vs tors. theta energy: -224.345 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: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2554.193904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.193904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.193904 (E_RNA) where: Base-Base interactions energy: -1891.865 where: short stacking energy: -715.333 Base-Backbone interact. energy: 3.605 local terms energy: -665.934270 where: bonds (distance) C4'-P energy: -108.164 bonds (distance) P-C4' energy: -117.992 flat angles C4'-P-C4' energy: -136.651 flat angles P-C4'-P energy: -89.376 tors. eta vs tors. theta energy: -213.750 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2497.511487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.511487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.511487 (E_RNA) where: Base-Base interactions energy: -1835.745 where: short stacking energy: -707.025 Base-Backbone interact. energy: -1.719 local terms energy: -660.048244 where: bonds (distance) C4'-P energy: -110.238 bonds (distance) P-C4' energy: -111.773 flat angles C4'-P-C4' energy: -136.857 flat angles P-C4'-P energy: -90.828 tors. eta vs tors. theta energy: -210.352 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: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2413.223074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.223074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.223074 (E_RNA) where: Base-Base interactions energy: -1758.816 where: short stacking energy: -689.475 Base-Backbone interact. energy: 2.598 local terms energy: -657.004771 where: bonds (distance) C4'-P energy: -98.305 bonds (distance) P-C4' energy: -114.886 flat angles C4'-P-C4' energy: -143.739 flat angles P-C4'-P energy: -88.010 tors. eta vs tors. theta energy: -212.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2366.400402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.400402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.400402 (E_RNA) where: Base-Base interactions energy: -1730.751 where: short stacking energy: -665.519 Base-Backbone interact. energy: -1.873 local terms energy: -633.776478 where: bonds (distance) C4'-P energy: -118.513 bonds (distance) P-C4' energy: -106.126 flat angles C4'-P-C4' energy: -132.993 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -192.102 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -2224.826313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.826313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.826313 (E_RNA) where: Base-Base interactions energy: -1610.790 where: short stacking energy: -615.259 Base-Backbone interact. energy: -1.094 local terms energy: -612.942242 where: bonds (distance) C4'-P energy: -104.307 bonds (distance) P-C4' energy: -115.265 flat angles C4'-P-C4' energy: -111.691 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -191.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1840.771116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.771116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.771116 (E_RNA) where: Base-Base interactions energy: -1330.596 where: short stacking energy: -532.590 Base-Backbone interact. energy: 1.475 local terms energy: -511.649996 where: bonds (distance) C4'-P energy: -80.404 bonds (distance) P-C4' energy: -90.163 flat angles C4'-P-C4' energy: -124.069 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -152.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1879.414101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.414101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.414101 (E_RNA) where: Base-Base interactions energy: -1352.071 where: short stacking energy: -507.512 Base-Backbone interact. energy: 5.974 local terms energy: -533.316533 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -110.732 flat angles C4'-P-C4' energy: -117.533 flat angles P-C4'-P energy: -57.453 tors. eta vs tors. theta energy: -148.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2710.350161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.350161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.350161 (E_RNA) where: Base-Base interactions energy: -1972.677 where: short stacking energy: -769.133 Base-Backbone interact. energy: 2.747 local terms energy: -740.419664 where: bonds (distance) C4'-P energy: -123.923 bonds (distance) P-C4' energy: -126.627 flat angles C4'-P-C4' energy: -156.325 flat angles P-C4'-P energy: -105.190 tors. eta vs tors. theta energy: -228.355 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: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2658.890597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.890597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.890597 (E_RNA) where: Base-Base interactions energy: -1951.767 where: short stacking energy: -765.297 Base-Backbone interact. energy: -1.362 local terms energy: -705.761013 where: bonds (distance) C4'-P energy: -125.145 bonds (distance) P-C4' energy: -111.028 flat angles C4'-P-C4' energy: -149.388 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -224.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2600.801887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.801887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.801887 (E_RNA) where: Base-Base interactions energy: -1925.748 where: short stacking energy: -747.226 Base-Backbone interact. energy: 0.286 local terms energy: -675.340132 where: bonds (distance) C4'-P energy: -102.477 bonds (distance) P-C4' energy: -115.301 flat angles C4'-P-C4' energy: -149.533 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -221.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2560.680588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.680588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.680588 (E_RNA) where: Base-Base interactions energy: -1893.887 where: short stacking energy: -730.501 Base-Backbone interact. energy: 2.789 local terms energy: -669.582979 where: bonds (distance) C4'-P energy: -114.819 bonds (distance) P-C4' energy: -109.508 flat angles C4'-P-C4' energy: -142.542 flat angles P-C4'-P energy: -94.628 tors. eta vs tors. theta energy: -208.086 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: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2514.985223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.985223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.985223 (E_RNA) where: Base-Base interactions energy: -1841.459 where: short stacking energy: -700.130 Base-Backbone interact. energy: -1.821 local terms energy: -671.705238 where: bonds (distance) C4'-P energy: -108.534 bonds (distance) P-C4' energy: -115.485 flat angles C4'-P-C4' energy: -136.659 flat angles P-C4'-P energy: -90.360 tors. eta vs tors. theta energy: -220.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2409.747503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.747503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.747503 (E_RNA) where: Base-Base interactions energy: -1756.666 where: short stacking energy: -676.947 Base-Backbone interact. energy: 0.173 local terms energy: -653.254877 where: bonds (distance) C4'-P energy: -111.131 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -134.666 flat angles P-C4'-P energy: -92.217 tors. eta vs tors. theta energy: -199.935 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: 458 Temperature: 1.200000 Total energy: -2345.705264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.705264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.705264 (E_RNA) where: Base-Base interactions energy: -1727.647 where: short stacking energy: -662.446 Base-Backbone interact. energy: -2.445 local terms energy: -615.613024 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -101.710 flat angles C4'-P-C4' energy: -130.710 flat angles P-C4'-P energy: -75.282 tors. eta vs tors. theta energy: -197.842 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: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2225.391947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.391947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.391947 (E_RNA) where: Base-Base interactions energy: -1637.498 where: short stacking energy: -637.611 Base-Backbone interact. energy: 2.376 local terms energy: -590.269774 where: bonds (distance) C4'-P energy: -93.471 bonds (distance) P-C4' energy: -96.431 flat angles C4'-P-C4' energy: -129.414 flat angles P-C4'-P energy: -90.355 tors. eta vs tors. theta energy: -180.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1954.199542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.199542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.199542 (E_RNA) where: Base-Base interactions energy: -1420.305 where: short stacking energy: -561.508 Base-Backbone interact. energy: 2.596 local terms energy: -536.490502 where: bonds (distance) C4'-P energy: -115.844 bonds (distance) P-C4' energy: -90.667 flat angles C4'-P-C4' energy: -119.614 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: -156.537 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: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1831.947819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.947819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.947819 (E_RNA) where: Base-Base interactions energy: -1316.496 where: short stacking energy: -506.381 Base-Backbone interact. energy: -0.324 local terms energy: -515.127549 where: bonds (distance) C4'-P energy: -97.439 bonds (distance) P-C4' energy: -99.001 flat angles C4'-P-C4' energy: -109.591 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -153.553 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: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2696.807720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.807720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.807720 (E_RNA) where: Base-Base interactions energy: -1970.500 where: short stacking energy: -760.531 Base-Backbone interact. energy: -0.785 local terms energy: -725.522737 where: bonds (distance) C4'-P energy: -122.945 bonds (distance) P-C4' energy: -131.422 flat angles C4'-P-C4' energy: -149.082 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -219.291 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: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2630.406951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.406951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.406951 (E_RNA) where: Base-Base interactions energy: -1923.903 where: short stacking energy: -755.082 Base-Backbone interact. energy: -0.923 local terms energy: -705.580476 where: bonds (distance) C4'-P energy: -120.094 bonds (distance) P-C4' energy: -118.713 flat angles C4'-P-C4' energy: -148.711 flat angles P-C4'-P energy: -95.536 tors. eta vs tors. theta energy: -222.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2599.785041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.785041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.785041 (E_RNA) where: Base-Base interactions energy: -1890.192 where: short stacking energy: -744.022 Base-Backbone interact. energy: 0.731 local terms energy: -710.323875 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -127.278 flat angles C4'-P-C4' energy: -155.631 flat angles P-C4'-P energy: -89.903 tors. eta vs tors. theta energy: -221.938 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: 4 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2549.012204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.012204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.012204 (E_RNA) where: Base-Base interactions energy: -1851.167 where: short stacking energy: -714.382 Base-Backbone interact. energy: 0.916 local terms energy: -698.761665 where: bonds (distance) C4'-P energy: -125.057 bonds (distance) P-C4' energy: -111.066 flat angles C4'-P-C4' energy: -149.320 flat angles P-C4'-P energy: -103.459 tors. eta vs tors. theta energy: -209.860 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: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2490.877907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.877907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.877907 (E_RNA) where: Base-Base interactions energy: -1799.441 where: short stacking energy: -714.951 Base-Backbone interact. energy: -1.316 local terms energy: -690.120664 where: bonds (distance) C4'-P energy: -113.022 bonds (distance) P-C4' energy: -121.578 flat angles C4'-P-C4' energy: -139.644 flat angles P-C4'-P energy: -92.942 tors. eta vs tors. theta energy: -222.934 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: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2440.670434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.670434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.670434 (E_RNA) where: Base-Base interactions energy: -1795.592 where: short stacking energy: -706.985 Base-Backbone interact. energy: 0.977 local terms energy: -646.055007 where: bonds (distance) C4'-P energy: -102.061 bonds (distance) P-C4' energy: -105.988 flat angles C4'-P-C4' energy: -133.979 flat angles P-C4'-P energy: -94.963 tors. eta vs tors. theta energy: -209.063 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: 3 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2347.749385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.749385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.749385 (E_RNA) where: Base-Base interactions energy: -1713.391 where: short stacking energy: -655.023 Base-Backbone interact. energy: -0.683 local terms energy: -633.675098 where: bonds (distance) C4'-P energy: -87.560 bonds (distance) P-C4' energy: -121.360 flat angles C4'-P-C4' energy: -131.292 flat angles P-C4'-P energy: -96.057 tors. eta vs tors. theta energy: -197.407 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: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -2227.032260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.032260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.032260 (E_RNA) where: Base-Base interactions energy: -1638.573 where: short stacking energy: -647.387 Base-Backbone interact. energy: 0.445 local terms energy: -588.904620 where: bonds (distance) C4'-P energy: -74.166 bonds (distance) P-C4' energy: -104.454 flat angles C4'-P-C4' energy: -128.304 flat angles P-C4'-P energy: -85.592 tors. eta vs tors. theta energy: -196.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1964.714480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.714480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.714480 (E_RNA) where: Base-Base interactions energy: -1424.478 where: short stacking energy: -552.992 Base-Backbone interact. energy: 0.918 local terms energy: -541.154244 where: bonds (distance) C4'-P energy: -109.088 bonds (distance) P-C4' energy: -80.373 flat angles C4'-P-C4' energy: -125.175 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: -148.650 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: 10, replica: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1797.215238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.215238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.215238 (E_RNA) where: Base-Base interactions energy: -1267.449 where: short stacking energy: -506.198 Base-Backbone interact. energy: 4.555 local terms energy: -534.321638 where: bonds (distance) C4'-P energy: -101.520 bonds (distance) P-C4' energy: -90.574 flat angles C4'-P-C4' energy: -124.187 flat angles P-C4'-P energy: -74.201 tors. eta vs tors. theta energy: -143.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2708.850845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.850845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.850845 (E_RNA) where: Base-Base interactions energy: -1948.292 where: short stacking energy: -760.116 Base-Backbone interact. energy: -2.572 local terms energy: -757.987155 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -134.242 flat angles C4'-P-C4' energy: -156.359 flat angles P-C4'-P energy: -110.839 tors. eta vs tors. theta energy: -226.915 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: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2622.088829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.088829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.088829 (E_RNA) where: Base-Base interactions energy: -1902.563 where: short stacking energy: -748.835 Base-Backbone interact. energy: -1.861 local terms energy: -717.664690 where: bonds (distance) C4'-P energy: -120.417 bonds (distance) P-C4' energy: -122.114 flat angles C4'-P-C4' energy: -150.529 flat angles P-C4'-P energy: -106.585 tors. eta vs tors. theta energy: -218.019 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: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2585.174415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.174415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.174415 (E_RNA) where: Base-Base interactions energy: -1893.842 where: short stacking energy: -727.116 Base-Backbone interact. energy: -0.528 local terms energy: -690.804888 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -148.443 flat angles P-C4'-P energy: -95.788 tors. eta vs tors. theta energy: -209.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2583.331945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.331945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.331945 (E_RNA) where: Base-Base interactions energy: -1908.938 where: short stacking energy: -730.988 Base-Backbone interact. energy: -0.813 local terms energy: -673.580424 where: bonds (distance) C4'-P energy: -117.230 bonds (distance) P-C4' energy: -93.867 flat angles C4'-P-C4' energy: -147.317 flat angles P-C4'-P energy: -96.248 tors. eta vs tors. theta energy: -218.919 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: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2495.132315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.132315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.132315 (E_RNA) where: Base-Base interactions energy: -1833.158 where: short stacking energy: -721.118 Base-Backbone interact. energy: -0.267 local terms energy: -661.707351 where: bonds (distance) C4'-P energy: -107.035 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -138.480 flat angles P-C4'-P energy: -96.000 tors. eta vs tors. theta energy: -218.610 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: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2422.524984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.524984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.524984 (E_RNA) where: Base-Base interactions energy: -1748.508 where: short stacking energy: -677.363 Base-Backbone interact. energy: 0.231 local terms energy: -674.247594 where: bonds (distance) C4'-P energy: -108.591 bonds (distance) P-C4' energy: -114.684 flat angles C4'-P-C4' energy: -141.308 flat angles P-C4'-P energy: -100.579 tors. eta vs tors. theta energy: -209.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2348.566776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.566776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.566776 (E_RNA) where: Base-Base interactions energy: -1741.947 where: short stacking energy: -670.131 Base-Backbone interact. energy: -1.167 local terms energy: -605.452920 where: bonds (distance) C4'-P energy: -95.942 bonds (distance) P-C4' energy: -102.471 flat angles C4'-P-C4' energy: -131.037 flat angles P-C4'-P energy: -85.841 tors. eta vs tors. theta energy: -190.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -2240.314257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.314257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.314257 (E_RNA) where: Base-Base interactions energy: -1625.700 where: short stacking energy: -635.704 Base-Backbone interact. energy: 0.966 local terms energy: -615.580501 where: bonds (distance) C4'-P energy: -90.448 bonds (distance) P-C4' energy: -102.582 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -88.396 tors. eta vs tors. theta energy: -192.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1972.496087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.496087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.496087 (E_RNA) where: Base-Base interactions energy: -1418.397 where: short stacking energy: -558.340 Base-Backbone interact. energy: -1.890 local terms energy: -552.208224 where: bonds (distance) C4'-P energy: -77.918 bonds (distance) P-C4' energy: -105.018 flat angles C4'-P-C4' energy: -122.190 flat angles P-C4'-P energy: -85.036 tors. eta vs tors. theta energy: -162.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1752.655958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.655958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.655958 (E_RNA) where: Base-Base interactions energy: -1243.470 where: short stacking energy: -503.804 Base-Backbone interact. energy: 0.985 local terms energy: -510.171064 where: bonds (distance) C4'-P energy: -97.450 bonds (distance) P-C4' energy: -100.910 flat angles C4'-P-C4' energy: -108.661 flat angles P-C4'-P energy: -70.320 tors. eta vs tors. theta energy: -132.831 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: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2696.555838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.555838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.555838 (E_RNA) where: Base-Base interactions energy: -1968.416 where: short stacking energy: -776.370 Base-Backbone interact. energy: -3.138 local terms energy: -725.001246 where: bonds (distance) C4'-P energy: -123.774 bonds (distance) P-C4' energy: -127.463 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -98.602 tors. eta vs tors. theta energy: -230.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2631.540648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.540648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.540648 (E_RNA) where: Base-Base interactions energy: -1927.330 where: short stacking energy: -739.909 Base-Backbone interact. energy: -0.353 local terms energy: -703.857311 where: bonds (distance) C4'-P energy: -121.292 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -147.060 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -222.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2596.353312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.353312 (E_RNA) where: Base-Base interactions energy: -1901.047 where: short stacking energy: -719.922 Base-Backbone interact. energy: 0.867 local terms energy: -696.172756 where: bonds (distance) C4'-P energy: -122.358 bonds (distance) P-C4' energy: -128.684 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -216.295 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: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2539.964770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.964770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.964770 (E_RNA) where: Base-Base interactions energy: -1856.076 where: short stacking energy: -725.609 Base-Backbone interact. energy: 0.420 local terms energy: -684.308855 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -124.176 flat angles C4'-P-C4' energy: -147.660 flat angles P-C4'-P energy: -84.742 tors. eta vs tors. theta energy: -209.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2527.645327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.645327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.645327 (E_RNA) where: Base-Base interactions energy: -1832.309 where: short stacking energy: -702.035 Base-Backbone interact. energy: -1.317 local terms energy: -694.018725 where: bonds (distance) C4'-P energy: -101.827 bonds (distance) P-C4' energy: -116.604 flat angles C4'-P-C4' energy: -142.137 flat angles P-C4'-P energy: -109.421 tors. eta vs tors. theta energy: -224.029 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: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2401.897212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.897212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.897212 (E_RNA) where: Base-Base interactions energy: -1758.153 where: short stacking energy: -656.878 Base-Backbone interact. energy: -0.869 local terms energy: -642.875569 where: bonds (distance) C4'-P energy: -109.987 bonds (distance) P-C4' energy: -111.718 flat angles C4'-P-C4' energy: -126.082 flat angles P-C4'-P energy: -99.602 tors. eta vs tors. theta energy: -195.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2359.810518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.810518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.810518 (E_RNA) where: Base-Base interactions energy: -1732.610 where: short stacking energy: -670.913 Base-Backbone interact. energy: 0.605 local terms energy: -627.805439 where: bonds (distance) C4'-P energy: -109.192 bonds (distance) P-C4' energy: -111.303 flat angles C4'-P-C4' energy: -130.098 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -196.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2214.993702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.993702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.993702 (E_RNA) where: Base-Base interactions energy: -1639.518 where: short stacking energy: -647.851 Base-Backbone interact. energy: -1.083 local terms energy: -574.392710 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -93.999 flat angles C4'-P-C4' energy: -133.431 flat angles P-C4'-P energy: -90.039 tors. eta vs tors. theta energy: -171.772 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: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1981.832253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.832253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.832253 (E_RNA) where: Base-Base interactions energy: -1424.350 where: short stacking energy: -546.413 Base-Backbone interact. energy: 0.849 local terms energy: -558.330889 where: bonds (distance) C4'-P energy: -100.247 bonds (distance) P-C4' energy: -93.619 flat angles C4'-P-C4' energy: -126.107 flat angles P-C4'-P energy: -78.289 tors. eta vs tors. theta energy: -160.069 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: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1759.267588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.267588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.267588 (E_RNA) where: Base-Base interactions energy: -1247.461 where: short stacking energy: -488.943 Base-Backbone interact. energy: 2.691 local terms energy: -514.497288 where: bonds (distance) C4'-P energy: -96.233 bonds (distance) P-C4' energy: -93.127 flat angles C4'-P-C4' energy: -106.571 flat angles P-C4'-P energy: -88.350 tors. eta vs tors. theta energy: -130.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2680.810694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.810694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.810694 (E_RNA) where: Base-Base interactions energy: -1934.228 where: short stacking energy: -749.250 Base-Backbone interact. energy: -0.673 local terms energy: -745.909433 where: bonds (distance) C4'-P energy: -125.215 bonds (distance) P-C4' energy: -128.457 flat angles C4'-P-C4' energy: -159.517 flat angles P-C4'-P energy: -110.059 tors. eta vs tors. theta energy: -222.661 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: 2, replica: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2648.956962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.956962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.956962 (E_RNA) where: Base-Base interactions energy: -1918.945 where: short stacking energy: -746.862 Base-Backbone interact. energy: -2.271 local terms energy: -727.740293 where: bonds (distance) C4'-P energy: -134.421 bonds (distance) P-C4' energy: -113.038 flat angles C4'-P-C4' energy: -149.587 flat angles P-C4'-P energy: -103.238 tors. eta vs tors. theta energy: -227.455 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: 462 Temperature: 1.000000 Total energy: -2617.897646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.897646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.897646 (E_RNA) where: Base-Base interactions energy: -1933.278 where: short stacking energy: -762.044 Base-Backbone interact. energy: -0.604 local terms energy: -684.016021 where: bonds (distance) C4'-P energy: -109.995 bonds (distance) P-C4' energy: -120.315 flat angles C4'-P-C4' energy: -143.719 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -218.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2539.085189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.085189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.085189 (E_RNA) where: Base-Base interactions energy: -1836.115 where: short stacking energy: -717.405 Base-Backbone interact. energy: -1.816 local terms energy: -701.154693 where: bonds (distance) C4'-P energy: -120.752 bonds (distance) P-C4' energy: -122.641 flat angles C4'-P-C4' energy: -133.904 flat angles P-C4'-P energy: -112.153 tors. eta vs tors. theta energy: -211.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2525.254567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.254567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.254567 (E_RNA) where: Base-Base interactions energy: -1851.978 where: short stacking energy: -714.167 Base-Backbone interact. energy: -0.635 local terms energy: -672.641405 where: bonds (distance) C4'-P energy: -120.129 bonds (distance) P-C4' energy: -109.594 flat angles C4'-P-C4' energy: -138.631 flat angles P-C4'-P energy: -86.316 tors. eta vs tors. theta energy: -217.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2439.184917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.184917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.184917 (E_RNA) where: Base-Base interactions energy: -1767.815 where: short stacking energy: -691.907 Base-Backbone interact. energy: -0.425 local terms energy: -670.945180 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -118.803 flat angles C4'-P-C4' energy: -144.099 flat angles P-C4'-P energy: -92.858 tors. eta vs tors. theta energy: -206.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2369.982142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.982142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.982142 (E_RNA) where: Base-Base interactions energy: -1734.137 where: short stacking energy: -676.052 Base-Backbone interact. energy: -1.234 local terms energy: -634.611285 where: bonds (distance) C4'-P energy: -109.519 bonds (distance) P-C4' energy: -93.134 flat angles C4'-P-C4' energy: -135.075 flat angles P-C4'-P energy: -91.031 tors. eta vs tors. theta energy: -205.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2209.397423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.397423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.397423 (E_RNA) where: Base-Base interactions energy: -1604.970 where: short stacking energy: -624.737 Base-Backbone interact. energy: -1.244 local terms energy: -603.183239 where: bonds (distance) C4'-P energy: -100.558 bonds (distance) P-C4' energy: -104.286 flat angles C4'-P-C4' energy: -136.582 flat angles P-C4'-P energy: -82.805 tors. eta vs tors. theta energy: -178.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1937.710468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.710468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.710468 (E_RNA) where: Base-Base interactions energy: -1423.379 where: short stacking energy: -557.752 Base-Backbone interact. energy: 0.945 local terms energy: -515.276419 where: bonds (distance) C4'-P energy: -108.752 bonds (distance) P-C4' energy: -80.849 flat angles C4'-P-C4' energy: -105.861 flat angles P-C4'-P energy: -68.997 tors. eta vs tors. theta energy: -150.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1780.748583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.748583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.748583 (E_RNA) where: Base-Base interactions energy: -1265.319 where: short stacking energy: -494.107 Base-Backbone interact. energy: -0.927 local terms energy: -514.502224 where: bonds (distance) C4'-P energy: -96.107 bonds (distance) P-C4' energy: -94.735 flat angles C4'-P-C4' energy: -115.925 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -136.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2681.611161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.611161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.611161 (E_RNA) where: Base-Base interactions energy: -1964.469 where: short stacking energy: -761.511 Base-Backbone interact. energy: -1.173 local terms energy: -715.968401 where: bonds (distance) C4'-P energy: -107.267 bonds (distance) P-C4' energy: -130.913 flat angles C4'-P-C4' energy: -152.475 flat angles P-C4'-P energy: -102.649 tors. eta vs tors. theta energy: -222.665 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: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2658.822353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.822353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.822353 (E_RNA) where: Base-Base interactions energy: -1943.646 where: short stacking energy: -761.465 Base-Backbone interact. energy: -1.624 local terms energy: -713.552738 where: bonds (distance) C4'-P energy: -128.991 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -149.644 flat angles P-C4'-P energy: -90.252 tors. eta vs tors. theta energy: -220.145 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: 463 Temperature: 1.000000 Total energy: -2604.751638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.751638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.751638 (E_RNA) where: Base-Base interactions energy: -1907.671 where: short stacking energy: -754.036 Base-Backbone interact. energy: -0.486 local terms energy: -696.594515 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -113.206 flat angles C4'-P-C4' energy: -143.961 flat angles P-C4'-P energy: -100.983 tors. eta vs tors. theta energy: -225.026 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: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2571.323801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.323801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.323801 (E_RNA) where: Base-Base interactions energy: -1869.046 where: short stacking energy: -734.661 Base-Backbone interact. energy: -0.408 local terms energy: -701.870132 where: bonds (distance) C4'-P energy: -112.530 bonds (distance) P-C4' energy: -120.714 flat angles C4'-P-C4' energy: -148.686 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -225.621 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: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2485.119109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.119109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.119109 (E_RNA) where: Base-Base interactions energy: -1812.399 where: short stacking energy: -682.716 Base-Backbone interact. energy: -0.990 local terms energy: -671.730326 where: bonds (distance) C4'-P energy: -111.046 bonds (distance) P-C4' energy: -109.764 flat angles C4'-P-C4' energy: -144.529 flat angles P-C4'-P energy: -95.418 tors. eta vs tors. theta energy: -210.975 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: 463 Temperature: 1.150000 Total energy: -2433.353186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.353186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.353186 (E_RNA) where: Base-Base interactions energy: -1788.139 where: short stacking energy: -685.884 Base-Backbone interact. energy: -0.925 local terms energy: -644.289221 where: bonds (distance) C4'-P energy: -103.516 bonds (distance) P-C4' energy: -101.209 flat angles C4'-P-C4' energy: -130.856 flat angles P-C4'-P energy: -99.540 tors. eta vs tors. theta energy: -209.167 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2356.551707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.551707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.551707 (E_RNA) where: Base-Base interactions energy: -1719.304 where: short stacking energy: -671.924 Base-Backbone interact. energy: 0.194 local terms energy: -637.441072 where: bonds (distance) C4'-P energy: -106.809 bonds (distance) P-C4' energy: -106.370 flat angles C4'-P-C4' energy: -137.126 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: -214.957 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: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2216.246400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.246400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.246400 (E_RNA) where: Base-Base interactions energy: -1634.800 where: short stacking energy: -628.361 Base-Backbone interact. energy: -0.833 local terms energy: -580.612593 where: bonds (distance) C4'-P energy: -88.954 bonds (distance) P-C4' energy: -99.248 flat angles C4'-P-C4' energy: -131.460 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -184.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1980.239491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.239491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.239491 (E_RNA) where: Base-Base interactions energy: -1435.442 where: short stacking energy: -554.226 Base-Backbone interact. energy: -1.241 local terms energy: -543.556479 where: bonds (distance) C4'-P energy: -84.468 bonds (distance) P-C4' energy: -95.036 flat angles C4'-P-C4' energy: -121.228 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -163.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1792.517595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.517595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.517595 (E_RNA) where: Base-Base interactions energy: -1249.799 where: short stacking energy: -517.516 Base-Backbone interact. energy: 0.382 local terms energy: -543.100466 where: bonds (distance) C4'-P energy: -92.017 bonds (distance) P-C4' energy: -101.862 flat angles C4'-P-C4' energy: -118.926 flat angles P-C4'-P energy: -76.380 tors. eta vs tors. theta energy: -153.914 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: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2706.992823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.992823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.992823 (E_RNA) where: Base-Base interactions energy: -1978.179 where: short stacking energy: -772.743 Base-Backbone interact. energy: -0.406 local terms energy: -728.407375 where: bonds (distance) C4'-P energy: -118.454 bonds (distance) P-C4' energy: -126.205 flat angles C4'-P-C4' energy: -156.657 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -223.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2620.191355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.191355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.191355 (E_RNA) where: Base-Base interactions energy: -1915.912 where: short stacking energy: -748.934 Base-Backbone interact. energy: 0.703 local terms energy: -704.982921 where: bonds (distance) C4'-P energy: -105.739 bonds (distance) P-C4' energy: -131.358 flat angles C4'-P-C4' energy: -142.449 flat angles P-C4'-P energy: -104.554 tors. eta vs tors. theta energy: -220.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2612.581548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.581548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.581548 (E_RNA) where: Base-Base interactions energy: -1917.172 where: short stacking energy: -745.802 Base-Backbone interact. energy: -0.949 local terms energy: -694.460647 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -109.717 flat angles C4'-P-C4' energy: -146.337 flat angles P-C4'-P energy: -108.322 tors. eta vs tors. theta energy: -221.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2580.742141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.742141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.742141 (E_RNA) where: Base-Base interactions energy: -1890.349 where: short stacking energy: -739.610 Base-Backbone interact. energy: -1.283 local terms energy: -689.110410 where: bonds (distance) C4'-P energy: -107.603 bonds (distance) P-C4' energy: -113.852 flat angles C4'-P-C4' energy: -151.437 flat angles P-C4'-P energy: -95.276 tors. eta vs tors. theta energy: -220.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2495.730971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.730971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.730971 (E_RNA) where: Base-Base interactions energy: -1825.999 where: short stacking energy: -707.655 Base-Backbone interact. energy: 0.135 local terms energy: -669.866572 where: bonds (distance) C4'-P energy: -118.623 bonds (distance) P-C4' energy: -101.380 flat angles C4'-P-C4' energy: -136.972 flat angles P-C4'-P energy: -98.844 tors. eta vs tors. theta energy: -214.047 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: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2412.482582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.482582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.482582 (E_RNA) where: Base-Base interactions energy: -1758.889 where: short stacking energy: -689.157 Base-Backbone interact. energy: -0.630 local terms energy: -652.963248 where: bonds (distance) C4'-P energy: -122.877 bonds (distance) P-C4' energy: -94.673 flat angles C4'-P-C4' energy: -127.812 flat angles P-C4'-P energy: -100.581 tors. eta vs tors. theta energy: -207.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2399.530221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.530221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.530221 (E_RNA) where: Base-Base interactions energy: -1729.867 where: short stacking energy: -676.427 Base-Backbone interact. energy: 0.354 local terms energy: -670.017191 where: bonds (distance) C4'-P energy: -114.435 bonds (distance) P-C4' energy: -113.010 flat angles C4'-P-C4' energy: -130.243 flat angles P-C4'-P energy: -95.974 tors. eta vs tors. theta energy: -216.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2179.424436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.424436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.424436 (E_RNA) where: Base-Base interactions energy: -1612.463 where: short stacking energy: -628.528 Base-Backbone interact. energy: 6.854 local terms energy: -573.815224 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -103.014 flat angles C4'-P-C4' energy: -116.158 flat angles P-C4'-P energy: -83.398 tors. eta vs tors. theta energy: -179.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -2004.600361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.600361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.600361 (E_RNA) where: Base-Base interactions energy: -1465.322 where: short stacking energy: -585.180 Base-Backbone interact. energy: 2.157 local terms energy: -541.435694 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -108.290 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -169.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1763.070190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.070190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.070190 (E_RNA) where: Base-Base interactions energy: -1246.073 where: short stacking energy: -490.768 Base-Backbone interact. energy: -3.220 local terms energy: -513.776489 where: bonds (distance) C4'-P energy: -78.232 bonds (distance) P-C4' energy: -104.026 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -70.942 tors. eta vs tors. theta energy: -147.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2689.227120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.227120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.227120 (E_RNA) where: Base-Base interactions energy: -1951.877 where: short stacking energy: -762.957 Base-Backbone interact. energy: -1.085 local terms energy: -736.265234 where: bonds (distance) C4'-P energy: -130.167 bonds (distance) P-C4' energy: -125.532 flat angles C4'-P-C4' energy: -157.185 flat angles P-C4'-P energy: -96.577 tors. eta vs tors. theta energy: -226.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2670.076473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.076473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.076473 (E_RNA) where: Base-Base interactions energy: -1928.065 where: short stacking energy: -759.525 Base-Backbone interact. energy: -1.699 local terms energy: -740.312613 where: bonds (distance) C4'-P energy: -123.072 bonds (distance) P-C4' energy: -128.517 flat angles C4'-P-C4' energy: -154.301 flat angles P-C4'-P energy: -104.562 tors. eta vs tors. theta energy: -229.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2596.022817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.022817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.022817 (E_RNA) where: Base-Base interactions energy: -1916.360 where: short stacking energy: -738.862 Base-Backbone interact. energy: 0.522 local terms energy: -680.184688 where: bonds (distance) C4'-P energy: -101.376 bonds (distance) P-C4' energy: -121.406 flat angles C4'-P-C4' energy: -150.544 flat angles P-C4'-P energy: -92.132 tors. eta vs tors. theta energy: -214.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2564.521613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.521613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.521613 (E_RNA) where: Base-Base interactions energy: -1867.383 where: short stacking energy: -723.963 Base-Backbone interact. energy: -1.768 local terms energy: -695.370823 where: bonds (distance) C4'-P energy: -109.319 bonds (distance) P-C4' energy: -119.448 flat angles C4'-P-C4' energy: -145.878 flat angles P-C4'-P energy: -103.184 tors. eta vs tors. theta energy: -217.541 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: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2504.138160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.138160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.138160 (E_RNA) where: Base-Base interactions energy: -1820.260 where: short stacking energy: -707.919 Base-Backbone interact. energy: -0.668 local terms energy: -683.209873 where: bonds (distance) C4'-P energy: -105.328 bonds (distance) P-C4' energy: -100.545 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -112.714 tors. eta vs tors. theta energy: -218.897 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: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2387.420503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.420503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.420503 (E_RNA) where: Base-Base interactions energy: -1753.858 where: short stacking energy: -670.926 Base-Backbone interact. energy: -1.290 local terms energy: -632.271904 where: bonds (distance) C4'-P energy: -97.311 bonds (distance) P-C4' energy: -112.319 flat angles C4'-P-C4' energy: -134.718 flat angles P-C4'-P energy: -90.222 tors. eta vs tors. theta energy: -197.703 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: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2349.269835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.269835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.269835 (E_RNA) where: Base-Base interactions energy: -1724.855 where: short stacking energy: -670.320 Base-Backbone interact. energy: -2.134 local terms energy: -622.280552 where: bonds (distance) C4'-P energy: -110.604 bonds (distance) P-C4' energy: -87.859 flat angles C4'-P-C4' energy: -130.062 flat angles P-C4'-P energy: -87.853 tors. eta vs tors. theta energy: -205.902 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: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -2211.021284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.021284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.021284 (E_RNA) where: Base-Base interactions energy: -1609.299 where: short stacking energy: -626.336 Base-Backbone interact. energy: -1.902 local terms energy: -599.820840 where: bonds (distance) C4'-P energy: -109.668 bonds (distance) P-C4' energy: -90.968 flat angles C4'-P-C4' energy: -124.366 flat angles P-C4'-P energy: -87.099 tors. eta vs tors. theta energy: -187.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -2045.191124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.191124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.191124 (E_RNA) where: Base-Base interactions energy: -1489.342 where: short stacking energy: -578.017 Base-Backbone interact. energy: -0.312 local terms energy: -555.537063 where: bonds (distance) C4'-P energy: -94.870 bonds (distance) P-C4' energy: -95.376 flat angles C4'-P-C4' energy: -128.957 flat angles P-C4'-P energy: -73.085 tors. eta vs tors. theta energy: -163.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1817.341205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.341205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.341205 (E_RNA) where: Base-Base interactions energy: -1305.822 where: short stacking energy: -520.309 Base-Backbone interact. energy: -1.068 local terms energy: -510.451207 where: bonds (distance) C4'-P energy: -99.106 bonds (distance) P-C4' energy: -90.894 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -62.758 tors. eta vs tors. theta energy: -143.727 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2705.784172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.784172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.784172 (E_RNA) where: Base-Base interactions energy: -1984.160 where: short stacking energy: -766.958 Base-Backbone interact. energy: -1.434 local terms energy: -720.190373 where: bonds (distance) C4'-P energy: -117.748 bonds (distance) P-C4' energy: -121.963 flat angles C4'-P-C4' energy: -155.329 flat angles P-C4'-P energy: -99.739 tors. eta vs tors. theta energy: -225.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2651.076956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.076956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.076956 (E_RNA) where: Base-Base interactions energy: -1913.947 where: short stacking energy: -753.789 Base-Backbone interact. energy: 2.139 local terms energy: -739.269415 where: bonds (distance) C4'-P energy: -120.676 bonds (distance) P-C4' energy: -139.053 flat angles C4'-P-C4' energy: -152.028 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -221.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2618.420428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.420428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.420428 (E_RNA) where: Base-Base interactions energy: -1899.225 where: short stacking energy: -734.341 Base-Backbone interact. energy: -0.165 local terms energy: -719.029989 where: bonds (distance) C4'-P energy: -119.588 bonds (distance) P-C4' energy: -120.505 flat angles C4'-P-C4' energy: -152.148 flat angles P-C4'-P energy: -112.200 tors. eta vs tors. theta energy: -214.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2574.795250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.795250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.795250 (E_RNA) where: Base-Base interactions energy: -1881.737 where: short stacking energy: -732.250 Base-Backbone interact. energy: -1.341 local terms energy: -691.717041 where: bonds (distance) C4'-P energy: -116.107 bonds (distance) P-C4' energy: -117.571 flat angles C4'-P-C4' energy: -131.895 flat angles P-C4'-P energy: -102.114 tors. eta vs tors. theta energy: -224.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2520.886006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.886006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.886006 (E_RNA) where: Base-Base interactions energy: -1838.456 where: short stacking energy: -685.492 Base-Backbone interact. energy: -0.880 local terms energy: -681.549678 where: bonds (distance) C4'-P energy: -119.184 bonds (distance) P-C4' energy: -106.639 flat angles C4'-P-C4' energy: -138.696 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -215.140 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: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2414.135330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.135330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.135330 (E_RNA) where: Base-Base interactions energy: -1792.138 where: short stacking energy: -684.195 Base-Backbone interact. energy: -0.456 local terms energy: -621.540970 where: bonds (distance) C4'-P energy: -89.407 bonds (distance) P-C4' energy: -94.630 flat angles C4'-P-C4' energy: -138.846 flat angles P-C4'-P energy: -95.486 tors. eta vs tors. theta energy: -203.171 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: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2362.093350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.093350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.093350 (E_RNA) where: Base-Base interactions energy: -1758.732 where: short stacking energy: -682.343 Base-Backbone interact. energy: -0.437 local terms energy: -602.924849 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -99.116 flat angles C4'-P-C4' energy: -131.604 flat angles P-C4'-P energy: -77.009 tors. eta vs tors. theta energy: -201.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -2207.992108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.992108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.992108 (E_RNA) where: Base-Base interactions energy: -1615.406 where: short stacking energy: -635.525 Base-Backbone interact. energy: -1.125 local terms energy: -591.461005 where: bonds (distance) C4'-P energy: -93.811 bonds (distance) P-C4' energy: -101.634 flat angles C4'-P-C4' energy: -133.221 flat angles P-C4'-P energy: -72.956 tors. eta vs tors. theta energy: -189.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1969.901476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.901476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.901476 (E_RNA) where: Base-Base interactions energy: -1416.339 where: short stacking energy: -524.254 Base-Backbone interact. energy: 3.878 local terms energy: -557.440530 where: bonds (distance) C4'-P energy: -99.604 bonds (distance) P-C4' energy: -97.502 flat angles C4'-P-C4' energy: -119.655 flat angles P-C4'-P energy: -94.156 tors. eta vs tors. theta energy: -146.523 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: 1 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1779.258714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.258714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.258714 (E_RNA) where: Base-Base interactions energy: -1249.236 where: short stacking energy: -494.772 Base-Backbone interact. energy: 0.266 local terms energy: -530.289249 where: bonds (distance) C4'-P energy: -102.172 bonds (distance) P-C4' energy: -105.238 flat angles C4'-P-C4' energy: -115.999 flat angles P-C4'-P energy: -75.231 tors. eta vs tors. theta energy: -131.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2682.496193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.496193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.496193 (E_RNA) where: Base-Base interactions energy: -1974.601 where: short stacking energy: -773.591 Base-Backbone interact. energy: -1.160 local terms energy: -706.734390 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -132.815 flat angles C4'-P-C4' energy: -148.488 flat angles P-C4'-P energy: -98.138 tors. eta vs tors. theta energy: -217.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2631.443249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.443249 (E_RNA) where: Base-Base interactions energy: -1910.395 where: short stacking energy: -734.069 Base-Backbone interact. energy: -0.318 local terms energy: -720.729736 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -115.916 flat angles C4'-P-C4' energy: -151.114 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -223.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2594.279902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.279902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.279902 (E_RNA) where: Base-Base interactions energy: -1894.103 where: short stacking energy: -727.433 Base-Backbone interact. energy: 0.003 local terms energy: -700.179790 where: bonds (distance) C4'-P energy: -122.285 bonds (distance) P-C4' energy: -117.832 flat angles C4'-P-C4' energy: -136.932 flat angles P-C4'-P energy: -106.496 tors. eta vs tors. theta energy: -216.635 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: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2571.778082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.778082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.778082 (E_RNA) where: Base-Base interactions energy: -1860.354 where: short stacking energy: -732.382 Base-Backbone interact. energy: 0.076 local terms energy: -711.500084 where: bonds (distance) C4'-P energy: -109.668 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -101.422 tors. eta vs tors. theta energy: -226.265 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: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2469.330839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.330839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.330839 (E_RNA) where: Base-Base interactions energy: -1806.645 where: short stacking energy: -688.985 Base-Backbone interact. energy: 0.922 local terms energy: -663.607975 where: bonds (distance) C4'-P energy: -99.735 bonds (distance) P-C4' energy: -117.652 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -212.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2394.584601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.584601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.584601 (E_RNA) where: Base-Base interactions energy: -1748.397 where: short stacking energy: -671.751 Base-Backbone interact. energy: 0.367 local terms energy: -646.554954 where: bonds (distance) C4'-P energy: -102.687 bonds (distance) P-C4' energy: -106.700 flat angles C4'-P-C4' energy: -140.080 flat angles P-C4'-P energy: -90.537 tors. eta vs tors. theta energy: -206.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2350.262383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.262383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.262383 (E_RNA) where: Base-Base interactions energy: -1716.321 where: short stacking energy: -659.985 Base-Backbone interact. energy: 1.145 local terms energy: -635.086008 where: bonds (distance) C4'-P energy: -105.505 bonds (distance) P-C4' energy: -105.173 flat angles C4'-P-C4' energy: -137.917 flat angles P-C4'-P energy: -91.712 tors. eta vs tors. theta energy: -194.779 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: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2200.895553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.895553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.895553 (E_RNA) where: Base-Base interactions energy: -1603.286 where: short stacking energy: -617.431 Base-Backbone interact. energy: -0.629 local terms energy: -596.980244 where: bonds (distance) C4'-P energy: -95.857 bonds (distance) P-C4' energy: -101.097 flat angles C4'-P-C4' energy: -133.925 flat angles P-C4'-P energy: -89.753 tors. eta vs tors. theta energy: -176.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1917.594536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.594536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.594536 (E_RNA) where: Base-Base interactions energy: -1397.540 where: short stacking energy: -543.476 Base-Backbone interact. energy: 6.533 local terms energy: -526.586903 where: bonds (distance) C4'-P energy: -80.163 bonds (distance) P-C4' energy: -109.140 flat angles C4'-P-C4' energy: -110.762 flat angles P-C4'-P energy: -80.915 tors. eta vs tors. theta energy: -145.607 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: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1703.057333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.057333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.057333 (E_RNA) where: Base-Base interactions energy: -1201.390 where: short stacking energy: -476.789 Base-Backbone interact. energy: 2.459 local terms energy: -504.125979 where: bonds (distance) C4'-P energy: -98.424 bonds (distance) P-C4' energy: -100.999 flat angles C4'-P-C4' energy: -103.825 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -126.470 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: 468 Temperature: 0.900000 Total energy: -2695.497972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.497972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.497972 (E_RNA) where: Base-Base interactions energy: -1959.755 where: short stacking energy: -772.406 Base-Backbone interact. energy: -0.541 local terms energy: -735.202790 where: bonds (distance) C4'-P energy: -121.310 bonds (distance) P-C4' energy: -124.315 flat angles C4'-P-C4' energy: -154.533 flat angles P-C4'-P energy: -112.096 tors. eta vs tors. theta energy: -222.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2665.965628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.965628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.965628 (E_RNA) where: Base-Base interactions energy: -1949.049 where: short stacking energy: -766.467 Base-Backbone interact. energy: 0.940 local terms energy: -717.857004 where: bonds (distance) C4'-P energy: -114.307 bonds (distance) P-C4' energy: -126.567 flat angles C4'-P-C4' energy: -152.548 flat angles P-C4'-P energy: -102.820 tors. eta vs tors. theta energy: -221.615 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: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2566.122273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.122273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.122273 (E_RNA) where: Base-Base interactions energy: -1876.824 where: short stacking energy: -729.721 Base-Backbone interact. energy: -2.150 local terms energy: -687.147354 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -127.186 flat angles C4'-P-C4' energy: -129.976 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -221.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2559.465385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.465385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.465385 (E_RNA) where: Base-Base interactions energy: -1869.961 where: short stacking energy: -731.165 Base-Backbone interact. energy: 0.046 local terms energy: -689.550414 where: bonds (distance) C4'-P energy: -112.000 bonds (distance) P-C4' energy: -122.106 flat angles C4'-P-C4' energy: -145.386 flat angles P-C4'-P energy: -87.471 tors. eta vs tors. theta energy: -222.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2474.129127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.129127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.129127 (E_RNA) where: Base-Base interactions energy: -1825.494 where: short stacking energy: -704.070 Base-Backbone interact. energy: -1.672 local terms energy: -646.962511 where: bonds (distance) C4'-P energy: -98.932 bonds (distance) P-C4' energy: -98.471 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -100.253 tors. eta vs tors. theta energy: -212.225 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: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2421.054855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.054855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.054855 (E_RNA) where: Base-Base interactions energy: -1773.750 where: short stacking energy: -682.828 Base-Backbone interact. energy: 3.852 local terms energy: -651.157321 where: bonds (distance) C4'-P energy: -103.598 bonds (distance) P-C4' energy: -115.835 flat angles C4'-P-C4' energy: -132.219 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -207.195 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: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2317.185884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.185884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.185884 (E_RNA) where: Base-Base interactions energy: -1697.223 where: short stacking energy: -650.830 Base-Backbone interact. energy: 0.036 local terms energy: -619.998847 where: bonds (distance) C4'-P energy: -103.730 bonds (distance) P-C4' energy: -99.554 flat angles C4'-P-C4' energy: -139.741 flat angles P-C4'-P energy: -90.017 tors. eta vs tors. theta energy: -186.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -2242.617082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.617082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.617082 (E_RNA) where: Base-Base interactions energy: -1640.460 where: short stacking energy: -632.948 Base-Backbone interact. energy: 1.967 local terms energy: -604.124088 where: bonds (distance) C4'-P energy: -106.562 bonds (distance) P-C4' energy: -90.787 flat angles C4'-P-C4' energy: -133.481 flat angles P-C4'-P energy: -86.541 tors. eta vs tors. theta energy: -186.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1981.946930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.946930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.946930 (E_RNA) where: Base-Base interactions energy: -1427.522 where: short stacking energy: -563.992 Base-Backbone interact. energy: 0.034 local terms energy: -554.458234 where: bonds (distance) C4'-P energy: -96.860 bonds (distance) P-C4' energy: -100.360 flat angles C4'-P-C4' energy: -112.533 flat angles P-C4'-P energy: -79.474 tors. eta vs tors. theta energy: -165.231 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: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1745.632586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.632586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.632586 (E_RNA) where: Base-Base interactions energy: -1233.439 where: short stacking energy: -482.932 Base-Backbone interact. energy: -1.055 local terms energy: -511.138556 where: bonds (distance) C4'-P energy: -98.009 bonds (distance) P-C4' energy: -101.629 flat angles C4'-P-C4' energy: -113.877 flat angles P-C4'-P energy: -70.107 tors. eta vs tors. theta energy: -127.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2685.665216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.665216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.665216 (E_RNA) where: Base-Base interactions energy: -1942.232 where: short stacking energy: -758.128 Base-Backbone interact. energy: -1.655 local terms energy: -741.778267 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -118.511 flat angles C4'-P-C4' energy: -156.948 flat angles P-C4'-P energy: -116.720 tors. eta vs tors. theta energy: -227.886 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: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2655.118909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.118909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.118909 (E_RNA) where: Base-Base interactions energy: -1931.545 where: short stacking energy: -748.839 Base-Backbone interact. energy: -0.961 local terms energy: -722.612340 where: bonds (distance) C4'-P energy: -125.726 bonds (distance) P-C4' energy: -133.171 flat angles C4'-P-C4' energy: -147.180 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -218.967 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: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2569.250760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.250760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.250760 (E_RNA) where: Base-Base interactions energy: -1872.936 where: short stacking energy: -715.633 Base-Backbone interact. energy: -0.091 local terms energy: -696.224524 where: bonds (distance) C4'-P energy: -115.111 bonds (distance) P-C4' energy: -122.874 flat angles C4'-P-C4' energy: -135.550 flat angles P-C4'-P energy: -107.198 tors. eta vs tors. theta energy: -215.492 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: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2567.116202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.116202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.116202 (E_RNA) where: Base-Base interactions energy: -1864.309 where: short stacking energy: -729.174 Base-Backbone interact. energy: -2.434 local terms energy: -700.373211 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -126.960 flat angles C4'-P-C4' energy: -137.710 flat angles P-C4'-P energy: -106.035 tors. eta vs tors. theta energy: -217.522 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: 7 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2487.116460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.116460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.116460 (E_RNA) where: Base-Base interactions energy: -1819.578 where: short stacking energy: -699.810 Base-Backbone interact. energy: 1.081 local terms energy: -668.618793 where: bonds (distance) C4'-P energy: -102.152 bonds (distance) P-C4' energy: -110.926 flat angles C4'-P-C4' energy: -145.874 flat angles P-C4'-P energy: -94.200 tors. eta vs tors. theta energy: -215.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2402.286962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.286962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.286962 (E_RNA) where: Base-Base interactions energy: -1770.341 where: short stacking energy: -694.539 Base-Backbone interact. energy: 1.279 local terms energy: -633.225218 where: bonds (distance) C4'-P energy: -106.456 bonds (distance) P-C4' energy: -104.764 flat angles C4'-P-C4' energy: -129.859 flat angles P-C4'-P energy: -85.336 tors. eta vs tors. theta energy: -206.810 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: 7, replica: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2308.734031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.734031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.734031 (E_RNA) where: Base-Base interactions energy: -1686.104 where: short stacking energy: -659.401 Base-Backbone interact. energy: 4.364 local terms energy: -626.994564 where: bonds (distance) C4'-P energy: -95.101 bonds (distance) P-C4' energy: -105.566 flat angles C4'-P-C4' energy: -133.828 flat angles P-C4'-P energy: -95.674 tors. eta vs tors. theta energy: -196.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -2210.032989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.032989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.032989 (E_RNA) where: Base-Base interactions energy: -1616.952 where: short stacking energy: -627.833 Base-Backbone interact. energy: 6.934 local terms energy: -600.014727 where: bonds (distance) C4'-P energy: -95.108 bonds (distance) P-C4' energy: -100.041 flat angles C4'-P-C4' energy: -127.938 flat angles P-C4'-P energy: -85.474 tors. eta vs tors. theta energy: -191.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1980.103838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.103838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.103838 (E_RNA) where: Base-Base interactions energy: -1411.592 where: short stacking energy: -551.218 Base-Backbone interact. energy: -1.427 local terms energy: -567.085004 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -110.758 flat angles C4'-P-C4' energy: -137.784 flat angles P-C4'-P energy: -70.628 tors. eta vs tors. theta energy: -160.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1745.603042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.603042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.603042 (E_RNA) where: Base-Base interactions energy: -1223.329 where: short stacking energy: -488.999 Base-Backbone interact. energy: -0.731 local terms energy: -521.543089 where: bonds (distance) C4'-P energy: -91.398 bonds (distance) P-C4' energy: -109.373 flat angles C4'-P-C4' energy: -114.681 flat angles P-C4'-P energy: -69.806 tors. eta vs tors. theta energy: -136.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2695.707917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.707917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.707917 (E_RNA) where: Base-Base interactions energy: -1947.171 where: short stacking energy: -762.461 Base-Backbone interact. energy: 0.280 local terms energy: -748.816642 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -113.995 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -120.422 tors. eta vs tors. theta energy: -229.503 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: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2665.633023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.633023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.633023 (E_RNA) where: Base-Base interactions energy: -1940.748 where: short stacking energy: -756.310 Base-Backbone interact. energy: 1.320 local terms energy: -726.205195 where: bonds (distance) C4'-P energy: -122.503 bonds (distance) P-C4' energy: -130.535 flat angles C4'-P-C4' energy: -144.337 flat angles P-C4'-P energy: -106.383 tors. eta vs tors. theta energy: -222.448 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: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2584.548041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.548041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.548041 (E_RNA) where: Base-Base interactions energy: -1895.065 where: short stacking energy: -725.383 Base-Backbone interact. energy: 4.336 local terms energy: -693.818435 where: bonds (distance) C4'-P energy: -103.018 bonds (distance) P-C4' energy: -113.055 flat angles C4'-P-C4' energy: -153.040 flat angles P-C4'-P energy: -104.209 tors. eta vs tors. theta energy: -220.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2576.318812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.318812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.318812 (E_RNA) where: Base-Base interactions energy: -1891.332 where: short stacking energy: -727.668 Base-Backbone interact. energy: -1.294 local terms energy: -683.692668 where: bonds (distance) C4'-P energy: -104.702 bonds (distance) P-C4' energy: -124.783 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -94.610 tors. eta vs tors. theta energy: -217.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2487.975441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.975441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.975441 (E_RNA) where: Base-Base interactions energy: -1809.413 where: short stacking energy: -697.812 Base-Backbone interact. energy: -0.219 local terms energy: -678.343265 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -139.626 flat angles P-C4'-P energy: -99.351 tors. eta vs tors. theta energy: -208.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2420.008201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.008201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.008201 (E_RNA) where: Base-Base interactions energy: -1750.623 where: short stacking energy: -675.652 Base-Backbone interact. energy: -0.757 local terms energy: -668.627799 where: bonds (distance) C4'-P energy: -104.423 bonds (distance) P-C4' energy: -123.020 flat angles C4'-P-C4' energy: -141.917 flat angles P-C4'-P energy: -91.817 tors. eta vs tors. theta energy: -207.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2254.430893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.430893 (E_RNA) where: Base-Base interactions energy: -1646.978 where: short stacking energy: -644.113 Base-Backbone interact. energy: -0.603 local terms energy: -606.850516 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -108.164 flat angles C4'-P-C4' energy: -127.619 flat angles P-C4'-P energy: -87.567 tors. eta vs tors. theta energy: -185.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -2207.573662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.573662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.573662 (E_RNA) where: Base-Base interactions energy: -1612.629 where: short stacking energy: -635.507 Base-Backbone interact. energy: -1.287 local terms energy: -593.658160 where: bonds (distance) C4'-P energy: -88.798 bonds (distance) P-C4' energy: -103.517 flat angles C4'-P-C4' energy: -135.608 flat angles P-C4'-P energy: -78.713 tors. eta vs tors. theta energy: -187.021 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: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -2031.294361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.294361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.294361 (E_RNA) where: Base-Base interactions energy: -1456.669 where: short stacking energy: -563.128 Base-Backbone interact. energy: -0.340 local terms energy: -574.285679 where: bonds (distance) C4'-P energy: -93.686 bonds (distance) P-C4' energy: -100.675 flat angles C4'-P-C4' energy: -131.195 flat angles P-C4'-P energy: -80.027 tors. eta vs tors. theta energy: -168.703 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: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1724.098779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.098779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.098779 (E_RNA) where: Base-Base interactions energy: -1190.124 where: short stacking energy: -474.407 Base-Backbone interact. energy: -0.390 local terms energy: -533.585071 where: bonds (distance) C4'-P energy: -94.477 bonds (distance) P-C4' energy: -95.128 flat angles C4'-P-C4' energy: -112.518 flat angles P-C4'-P energy: -89.308 tors. eta vs tors. theta energy: -142.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2688.998907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.998907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.998907 (E_RNA) where: Base-Base interactions energy: -1956.747 where: short stacking energy: -769.376 Base-Backbone interact. energy: 0.750 local terms energy: -733.001880 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -124.868 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -103.764 tors. eta vs tors. theta energy: -222.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2653.466272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.466272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.466272 (E_RNA) where: Base-Base interactions energy: -1939.740 where: short stacking energy: -753.921 Base-Backbone interact. energy: -0.607 local terms energy: -713.119224 where: bonds (distance) C4'-P energy: -112.983 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -152.734 flat angles P-C4'-P energy: -103.927 tors. eta vs tors. theta energy: -220.722 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: 471 Temperature: 1.000000 Total energy: -2602.839558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.839558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.839558 (E_RNA) where: Base-Base interactions energy: -1929.259 where: short stacking energy: -750.790 Base-Backbone interact. energy: 0.414 local terms energy: -673.993691 where: bonds (distance) C4'-P energy: -107.737 bonds (distance) P-C4' energy: -106.955 flat angles C4'-P-C4' energy: -143.950 flat angles P-C4'-P energy: -99.543 tors. eta vs tors. theta energy: -215.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2578.772426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.772426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.772426 (E_RNA) where: Base-Base interactions energy: -1904.713 where: short stacking energy: -733.543 Base-Backbone interact. energy: -1.297 local terms energy: -672.762810 where: bonds (distance) C4'-P energy: -119.207 bonds (distance) P-C4' energy: -87.685 flat angles C4'-P-C4' energy: -145.525 flat angles P-C4'-P energy: -99.862 tors. eta vs tors. theta energy: -220.483 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: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2515.582037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.582037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.582037 (E_RNA) where: Base-Base interactions energy: -1840.688 where: short stacking energy: -719.594 Base-Backbone interact. energy: -1.579 local terms energy: -673.314809 where: bonds (distance) C4'-P energy: -118.101 bonds (distance) P-C4' energy: -99.284 flat angles C4'-P-C4' energy: -139.294 flat angles P-C4'-P energy: -102.910 tors. eta vs tors. theta energy: -213.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2380.932917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.932917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.932917 (E_RNA) where: Base-Base interactions energy: -1726.137 where: short stacking energy: -675.926 Base-Backbone interact. energy: -0.796 local terms energy: -654.000299 where: bonds (distance) C4'-P energy: -110.706 bonds (distance) P-C4' energy: -111.303 flat angles C4'-P-C4' energy: -145.599 flat angles P-C4'-P energy: -83.587 tors. eta vs tors. theta energy: -202.806 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: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2250.904113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.904113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.904113 (E_RNA) where: Base-Base interactions energy: -1646.515 where: short stacking energy: -631.001 Base-Backbone interact. energy: 2.371 local terms energy: -606.759844 where: bonds (distance) C4'-P energy: -110.652 bonds (distance) P-C4' energy: -96.237 flat angles C4'-P-C4' energy: -126.041 flat angles P-C4'-P energy: -84.450 tors. eta vs tors. theta energy: -189.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2203.327503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.327503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.327503 (E_RNA) where: Base-Base interactions energy: -1599.235 where: short stacking energy: -624.814 Base-Backbone interact. energy: -1.551 local terms energy: -602.541352 where: bonds (distance) C4'-P energy: -96.580 bonds (distance) P-C4' energy: -93.802 flat angles C4'-P-C4' energy: -133.531 flat angles P-C4'-P energy: -95.061 tors. eta vs tors. theta energy: -183.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -2049.087783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.087783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.087783 (E_RNA) where: Base-Base interactions energy: -1499.905 where: short stacking energy: -557.386 Base-Backbone interact. energy: 2.898 local terms energy: -552.080859 where: bonds (distance) C4'-P energy: -85.435 bonds (distance) P-C4' energy: -111.026 flat angles C4'-P-C4' energy: -112.757 flat angles P-C4'-P energy: -92.677 tors. eta vs tors. theta energy: -150.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1834.836728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.836728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.836728 (E_RNA) where: Base-Base interactions energy: -1305.223 where: short stacking energy: -520.181 Base-Backbone interact. energy: -0.914 local terms energy: -528.699703 where: bonds (distance) C4'-P energy: -106.854 bonds (distance) P-C4' energy: -108.492 flat angles C4'-P-C4' energy: -112.825 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -138.770 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: 472 Temperature: 0.900000 Total energy: -2692.792722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.792722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.792722 (E_RNA) where: Base-Base interactions energy: -1949.425 where: short stacking energy: -745.056 Base-Backbone interact. energy: -0.493 local terms energy: -742.874127 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -127.927 flat angles C4'-P-C4' energy: -153.469 flat angles P-C4'-P energy: -112.399 tors. eta vs tors. theta energy: -221.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2660.320359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.320359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.320359 (E_RNA) where: Base-Base interactions energy: -1937.905 where: short stacking energy: -759.917 Base-Backbone interact. energy: -0.480 local terms energy: -721.934518 where: bonds (distance) C4'-P energy: -116.563 bonds (distance) P-C4' energy: -120.240 flat angles C4'-P-C4' energy: -156.832 flat angles P-C4'-P energy: -100.022 tors. eta vs tors. theta energy: -228.278 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: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2626.302197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.302197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.302197 (E_RNA) where: Base-Base interactions energy: -1924.649 where: short stacking energy: -734.480 Base-Backbone interact. energy: -1.081 local terms energy: -700.571852 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -115.021 flat angles C4'-P-C4' energy: -145.044 flat angles P-C4'-P energy: -107.335 tors. eta vs tors. theta energy: -217.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2564.457609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.457609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.457609 (E_RNA) where: Base-Base interactions energy: -1867.714 where: short stacking energy: -727.318 Base-Backbone interact. energy: 1.311 local terms energy: -698.054638 where: bonds (distance) C4'-P energy: -116.491 bonds (distance) P-C4' energy: -114.801 flat angles C4'-P-C4' energy: -151.065 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -220.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2504.047518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.047518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.047518 (E_RNA) where: Base-Base interactions energy: -1831.234 where: short stacking energy: -718.668 Base-Backbone interact. energy: 1.428 local terms energy: -674.242121 where: bonds (distance) C4'-P energy: -107.620 bonds (distance) P-C4' energy: -109.560 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -99.540 tors. eta vs tors. theta energy: -216.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2417.061061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.061061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.061061 (E_RNA) where: Base-Base interactions energy: -1773.218 where: short stacking energy: -695.192 Base-Backbone interact. energy: -0.461 local terms energy: -643.382410 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -94.457 flat angles C4'-P-C4' energy: -140.959 flat angles P-C4'-P energy: -87.264 tors. eta vs tors. theta energy: -206.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2253.912509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.912509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.912509 (E_RNA) where: Base-Base interactions energy: -1636.347 where: short stacking energy: -643.004 Base-Backbone interact. energy: -1.473 local terms energy: -616.092538 where: bonds (distance) C4'-P energy: -111.142 bonds (distance) P-C4' energy: -98.936 flat angles C4'-P-C4' energy: -122.868 flat angles P-C4'-P energy: -89.528 tors. eta vs tors. theta energy: -193.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -2215.100189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.100189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.100189 (E_RNA) where: Base-Base interactions energy: -1607.037 where: short stacking energy: -639.465 Base-Backbone interact. energy: 3.804 local terms energy: -611.866975 where: bonds (distance) C4'-P energy: -109.471 bonds (distance) P-C4' energy: -90.388 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -82.457 tors. eta vs tors. theta energy: -194.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -2056.335942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.335942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.335942 (E_RNA) where: Base-Base interactions energy: -1464.085 where: short stacking energy: -548.188 Base-Backbone interact. energy: 1.253 local terms energy: -593.504299 where: bonds (distance) C4'-P energy: -111.821 bonds (distance) P-C4' energy: -103.146 flat angles C4'-P-C4' energy: -134.993 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: -154.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1849.054356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.054356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.054356 (E_RNA) where: Base-Base interactions energy: -1327.156 where: short stacking energy: -509.241 Base-Backbone interact. energy: -1.135 local terms energy: -520.763583 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -118.754 flat angles P-C4'-P energy: -64.528 tors. eta vs tors. theta energy: -144.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2698.185246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.185246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.185246 (E_RNA) where: Base-Base interactions energy: -1974.368 where: short stacking energy: -777.582 Base-Backbone interact. energy: 0.307 local terms energy: -724.123908 where: bonds (distance) C4'-P energy: -112.996 bonds (distance) P-C4' energy: -126.664 flat angles C4'-P-C4' energy: -154.225 flat angles P-C4'-P energy: -102.876 tors. eta vs tors. theta energy: -227.363 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: 473 Temperature: 0.950000 Total energy: -2663.263653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.263653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.263653 (E_RNA) where: Base-Base interactions energy: -1952.216 where: short stacking energy: -751.403 Base-Backbone interact. energy: -0.667 local terms energy: -710.380538 where: bonds (distance) C4'-P energy: -119.884 bonds (distance) P-C4' energy: -119.861 flat angles C4'-P-C4' energy: -161.426 flat angles P-C4'-P energy: -88.541 tors. eta vs tors. theta energy: -220.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2590.639839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.639839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.639839 (E_RNA) where: Base-Base interactions energy: -1908.475 where: short stacking energy: -735.741 Base-Backbone interact. energy: 0.617 local terms energy: -682.782202 where: bonds (distance) C4'-P energy: -111.553 bonds (distance) P-C4' energy: -113.896 flat angles C4'-P-C4' energy: -137.861 flat angles P-C4'-P energy: -100.857 tors. eta vs tors. theta energy: -218.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2563.702127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.702127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.702127 (E_RNA) where: Base-Base interactions energy: -1871.574 where: short stacking energy: -703.041 Base-Backbone interact. energy: -1.389 local terms energy: -690.739105 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -105.649 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -106.240 tors. eta vs tors. theta energy: -216.923 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: 5, replica: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2496.936236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.936236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.936236 (E_RNA) where: Base-Base interactions energy: -1811.961 where: short stacking energy: -698.345 Base-Backbone interact. energy: -1.778 local terms energy: -683.197013 where: bonds (distance) C4'-P energy: -119.009 bonds (distance) P-C4' energy: -108.159 flat angles C4'-P-C4' energy: -149.936 flat angles P-C4'-P energy: -89.058 tors. eta vs tors. theta energy: -217.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2395.896823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.896823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.896823 (E_RNA) where: Base-Base interactions energy: -1748.938 where: short stacking energy: -678.692 Base-Backbone interact. energy: -0.561 local terms energy: -646.397355 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -101.911 flat angles C4'-P-C4' energy: -136.673 flat angles P-C4'-P energy: -88.322 tors. eta vs tors. theta energy: -204.095 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: 3 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2261.948908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.948908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.948908 (E_RNA) where: Base-Base interactions energy: -1654.937 where: short stacking energy: -640.696 Base-Backbone interact. energy: -0.450 local terms energy: -606.561867 where: bonds (distance) C4'-P energy: -99.749 bonds (distance) P-C4' energy: -102.109 flat angles C4'-P-C4' energy: -133.046 flat angles P-C4'-P energy: -79.687 tors. eta vs tors. theta energy: -191.970 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: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -2195.282834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.282834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.282834 (E_RNA) where: Base-Base interactions energy: -1604.276 where: short stacking energy: -618.928 Base-Backbone interact. energy: -2.578 local terms energy: -588.428752 where: bonds (distance) C4'-P energy: -89.801 bonds (distance) P-C4' energy: -100.318 flat angles C4'-P-C4' energy: -128.415 flat angles P-C4'-P energy: -75.155 tors. eta vs tors. theta energy: -194.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -2066.302214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.302214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.302214 (E_RNA) where: Base-Base interactions energy: -1500.815 where: short stacking energy: -601.964 Base-Backbone interact. energy: -1.087 local terms energy: -564.400943 where: bonds (distance) C4'-P energy: -89.900 bonds (distance) P-C4' energy: -107.036 flat angles C4'-P-C4' energy: -127.977 flat angles P-C4'-P energy: -73.867 tors. eta vs tors. theta energy: -165.621 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: 1 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1870.854024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.854024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.854024 (E_RNA) where: Base-Base interactions energy: -1324.442 where: short stacking energy: -532.059 Base-Backbone interact. energy: 2.564 local terms energy: -548.976390 where: bonds (distance) C4'-P energy: -111.984 bonds (distance) P-C4' energy: -89.525 flat angles C4'-P-C4' energy: -121.823 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: -151.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2702.711784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.711784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.711784 (E_RNA) where: Base-Base interactions energy: -1950.080 where: short stacking energy: -772.376 Base-Backbone interact. energy: -0.943 local terms energy: -751.688830 where: bonds (distance) C4'-P energy: -133.277 bonds (distance) P-C4' energy: -134.447 flat angles C4'-P-C4' energy: -162.809 flat angles P-C4'-P energy: -97.674 tors. eta vs tors. theta energy: -223.482 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: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2646.478419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.478419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.478419 (E_RNA) where: Base-Base interactions energy: -1926.704 where: short stacking energy: -747.020 Base-Backbone interact. energy: -2.109 local terms energy: -717.665820 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -124.577 flat angles C4'-P-C4' energy: -144.332 flat angles P-C4'-P energy: -97.585 tors. eta vs tors. theta energy: -216.269 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: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2607.178866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.178866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.178866 (E_RNA) where: Base-Base interactions energy: -1933.763 where: short stacking energy: -753.748 Base-Backbone interact. energy: 4.649 local terms energy: -678.064655 where: bonds (distance) C4'-P energy: -113.468 bonds (distance) P-C4' energy: -114.932 flat angles C4'-P-C4' energy: -133.351 flat angles P-C4'-P energy: -93.917 tors. eta vs tors. theta energy: -222.397 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: 4 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2553.498786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.498786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.498786 (E_RNA) where: Base-Base interactions energy: -1904.411 where: short stacking energy: -731.117 Base-Backbone interact. energy: -1.714 local terms energy: -647.373893 where: bonds (distance) C4'-P energy: -103.326 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -139.375 flat angles P-C4'-P energy: -96.445 tors. eta vs tors. theta energy: -211.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2513.898784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.898784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.898784 (E_RNA) where: Base-Base interactions energy: -1840.988 where: short stacking energy: -706.039 Base-Backbone interact. energy: 0.396 local terms energy: -673.307010 where: bonds (distance) C4'-P energy: -107.017 bonds (distance) P-C4' energy: -114.953 flat angles C4'-P-C4' energy: -141.592 flat angles P-C4'-P energy: -96.588 tors. eta vs tors. theta energy: -213.158 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: 474 Temperature: 1.150000 Total energy: -2388.732641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.732641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.732641 (E_RNA) where: Base-Base interactions energy: -1732.092 where: short stacking energy: -667.103 Base-Backbone interact. energy: -1.276 local terms energy: -655.363974 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -137.942 flat angles P-C4'-P energy: -88.110 tors. eta vs tors. theta energy: -207.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2256.338441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.338441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.338441 (E_RNA) where: Base-Base interactions energy: -1674.473 where: short stacking energy: -649.971 Base-Backbone interact. energy: 0.236 local terms energy: -582.101318 where: bonds (distance) C4'-P energy: -108.888 bonds (distance) P-C4' energy: -96.280 flat angles C4'-P-C4' energy: -122.408 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -183.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2232.782587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.782587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.782587 (E_RNA) where: Base-Base interactions energy: -1656.396 where: short stacking energy: -644.384 Base-Backbone interact. energy: -0.706 local terms energy: -575.680488 where: bonds (distance) C4'-P energy: -71.800 bonds (distance) P-C4' energy: -100.207 flat angles C4'-P-C4' energy: -125.497 flat angles P-C4'-P energy: -81.753 tors. eta vs tors. theta energy: -196.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -2023.003436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.003436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.003436 (E_RNA) where: Base-Base interactions energy: -1448.295 where: short stacking energy: -568.610 Base-Backbone interact. energy: 0.580 local terms energy: -575.288764 where: bonds (distance) C4'-P energy: -82.479 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -120.112 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -175.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1879.984573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.984573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.984573 (E_RNA) where: Base-Base interactions energy: -1391.653 where: short stacking energy: -565.834 Base-Backbone interact. energy: -2.195 local terms energy: -486.137076 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -85.119 flat angles C4'-P-C4' energy: -103.284 flat angles P-C4'-P energy: -70.858 tors. eta vs tors. theta energy: -151.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2696.751682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.751682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.751682 (E_RNA) where: Base-Base interactions energy: -1957.809 where: short stacking energy: -747.862 Base-Backbone interact. energy: -0.540 local terms energy: -738.402426 where: bonds (distance) C4'-P energy: -117.197 bonds (distance) P-C4' energy: -130.103 flat angles C4'-P-C4' energy: -155.573 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -225.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2637.555875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.555875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.555875 (E_RNA) where: Base-Base interactions energy: -1923.075 where: short stacking energy: -749.490 Base-Backbone interact. energy: -1.081 local terms energy: -713.399667 where: bonds (distance) C4'-P energy: -122.992 bonds (distance) P-C4' energy: -125.805 flat angles C4'-P-C4' energy: -144.811 flat angles P-C4'-P energy: -98.228 tors. eta vs tors. theta energy: -221.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2588.302646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.302646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.302646 (E_RNA) where: Base-Base interactions energy: -1887.836 where: short stacking energy: -735.555 Base-Backbone interact. energy: -0.276 local terms energy: -700.190613 where: bonds (distance) C4'-P energy: -121.096 bonds (distance) P-C4' energy: -113.381 flat angles C4'-P-C4' energy: -144.553 flat angles P-C4'-P energy: -103.445 tors. eta vs tors. theta energy: -217.716 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: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2552.893961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.893961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.893961 (E_RNA) where: Base-Base interactions energy: -1833.256 where: short stacking energy: -718.932 Base-Backbone interact. energy: 5.616 local terms energy: -725.254191 where: bonds (distance) C4'-P energy: -115.286 bonds (distance) P-C4' energy: -130.862 flat angles C4'-P-C4' energy: -148.091 flat angles P-C4'-P energy: -107.318 tors. eta vs tors. theta energy: -223.697 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: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2508.848722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.848722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.848722 (E_RNA) where: Base-Base interactions energy: -1868.449 where: short stacking energy: -709.677 Base-Backbone interact. energy: -0.852 local terms energy: -639.547970 where: bonds (distance) C4'-P energy: -97.427 bonds (distance) P-C4' energy: -98.261 flat angles C4'-P-C4' energy: -143.515 flat angles P-C4'-P energy: -92.104 tors. eta vs tors. theta energy: -208.240 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: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2441.129585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.129585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.129585 (E_RNA) where: Base-Base interactions energy: -1805.226 where: short stacking energy: -720.275 Base-Backbone interact. energy: -1.886 local terms energy: -634.017213 where: bonds (distance) C4'-P energy: -100.143 bonds (distance) P-C4' energy: -100.967 flat angles C4'-P-C4' energy: -136.372 flat angles P-C4'-P energy: -85.384 tors. eta vs tors. theta energy: -211.151 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: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2255.506007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.506007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.506007 (E_RNA) where: Base-Base interactions energy: -1631.958 where: short stacking energy: -619.126 Base-Backbone interact. energy: -1.441 local terms energy: -622.106394 where: bonds (distance) C4'-P energy: -101.417 bonds (distance) P-C4' energy: -111.561 flat angles C4'-P-C4' energy: -129.924 flat angles P-C4'-P energy: -91.233 tors. eta vs tors. theta energy: -187.971 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: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -2091.199688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.199688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.199688 (E_RNA) where: Base-Base interactions energy: -1517.448 where: short stacking energy: -589.342 Base-Backbone interact. energy: 0.811 local terms energy: -574.563589 where: bonds (distance) C4'-P energy: -93.338 bonds (distance) P-C4' energy: -112.113 flat angles C4'-P-C4' energy: -110.089 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -170.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -2165.077944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.077944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.077944 (E_RNA) where: Base-Base interactions energy: -1611.290 where: short stacking energy: -636.860 Base-Backbone interact. energy: -0.856 local terms energy: -552.931861 where: bonds (distance) C4'-P energy: -93.519 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -120.753 flat angles P-C4'-P energy: -71.918 tors. eta vs tors. theta energy: -187.096 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: 10, replica: 1 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1901.921110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.921110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.921110 (E_RNA) where: Base-Base interactions energy: -1352.028 where: short stacking energy: -533.105 Base-Backbone interact. energy: -1.043 local terms energy: -548.850501 where: bonds (distance) C4'-P energy: -81.398 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -120.067 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -148.491 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: 476 Temperature: 0.900000 Total energy: -2709.869709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.869709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.869709 (E_RNA) where: Base-Base interactions energy: -1979.664 where: short stacking energy: -773.269 Base-Backbone interact. energy: -1.468 local terms energy: -728.737976 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -122.313 flat angles C4'-P-C4' energy: -148.530 flat angles P-C4'-P energy: -110.554 tors. eta vs tors. theta energy: -227.183 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: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2657.228121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.228121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.228121 (E_RNA) where: Base-Base interactions energy: -1933.449 where: short stacking energy: -745.284 Base-Backbone interact. energy: 0.423 local terms energy: -724.202394 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -126.761 flat angles C4'-P-C4' energy: -147.881 flat angles P-C4'-P energy: -108.628 tors. eta vs tors. theta energy: -217.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2567.508907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.508907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.508907 (E_RNA) where: Base-Base interactions energy: -1885.608 where: short stacking energy: -723.190 Base-Backbone interact. energy: -0.784 local terms energy: -681.116858 where: bonds (distance) C4'-P energy: -110.605 bonds (distance) P-C4' energy: -119.777 flat angles C4'-P-C4' energy: -149.404 flat angles P-C4'-P energy: -83.700 tors. eta vs tors. theta energy: -217.631 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: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2548.522513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.522513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.522513 (E_RNA) where: Base-Base interactions energy: -1868.477 where: short stacking energy: -737.549 Base-Backbone interact. energy: -1.811 local terms energy: -678.234763 where: bonds (distance) C4'-P energy: -115.806 bonds (distance) P-C4' energy: -108.606 flat angles C4'-P-C4' energy: -148.141 flat angles P-C4'-P energy: -85.049 tors. eta vs tors. theta energy: -220.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2536.502507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.502507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.502507 (E_RNA) where: Base-Base interactions energy: -1875.205 where: short stacking energy: -718.233 Base-Backbone interact. energy: 5.549 local terms energy: -666.846559 where: bonds (distance) C4'-P energy: -102.971 bonds (distance) P-C4' energy: -114.846 flat angles C4'-P-C4' energy: -137.543 flat angles P-C4'-P energy: -92.424 tors. eta vs tors. theta energy: -219.063 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: 476 Temperature: 1.150000 Total energy: -2439.903784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.903784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.903784 (E_RNA) where: Base-Base interactions energy: -1774.216 where: short stacking energy: -678.519 Base-Backbone interact. energy: -1.511 local terms energy: -664.176569 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -108.207 flat angles C4'-P-C4' energy: -134.913 flat angles P-C4'-P energy: -92.586 tors. eta vs tors. theta energy: -217.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2297.005074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.005074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.005074 (E_RNA) where: Base-Base interactions energy: -1697.716 where: short stacking energy: -660.509 Base-Backbone interact. energy: -1.386 local terms energy: -597.902923 where: bonds (distance) C4'-P energy: -96.264 bonds (distance) P-C4' energy: -84.923 flat angles C4'-P-C4' energy: -133.312 flat angles P-C4'-P energy: -92.276 tors. eta vs tors. theta energy: -191.128 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: 476 Temperature: 1.250000 Total energy: -2104.579321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.579321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.579321 (E_RNA) where: Base-Base interactions energy: -1514.817 where: short stacking energy: -585.210 Base-Backbone interact. energy: -1.024 local terms energy: -588.737747 where: bonds (distance) C4'-P energy: -92.194 bonds (distance) P-C4' energy: -102.129 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -96.257 tors. eta vs tors. theta energy: -170.408 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: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -2163.202596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.202596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.202596 (E_RNA) where: Base-Base interactions energy: -1582.607 where: short stacking energy: -621.561 Base-Backbone interact. energy: 1.404 local terms energy: -582.000034 where: bonds (distance) C4'-P energy: -107.877 bonds (distance) P-C4' energy: -98.002 flat angles C4'-P-C4' energy: -109.750 flat angles P-C4'-P energy: -85.890 tors. eta vs tors. theta energy: -180.482 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: 1 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1922.257563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.257563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.257563 (E_RNA) where: Base-Base interactions energy: -1381.145 where: short stacking energy: -541.984 Base-Backbone interact. energy: 0.303 local terms energy: -541.416057 where: bonds (distance) C4'-P energy: -90.970 bonds (distance) P-C4' energy: -104.930 flat angles C4'-P-C4' energy: -129.091 flat angles P-C4'-P energy: -70.186 tors. eta vs tors. theta energy: -146.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2699.517344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.517344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.517344 (E_RNA) where: Base-Base interactions energy: -1940.099 where: short stacking energy: -753.130 Base-Backbone interact. energy: -1.315 local terms energy: -758.102740 where: bonds (distance) C4'-P energy: -131.045 bonds (distance) P-C4' energy: -128.484 flat angles C4'-P-C4' energy: -154.084 flat angles P-C4'-P energy: -112.599 tors. eta vs tors. theta energy: -231.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2625.322177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.322177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.322177 (E_RNA) where: Base-Base interactions energy: -1919.099 where: short stacking energy: -748.872 Base-Backbone interact. energy: -1.053 local terms energy: -705.169707 where: bonds (distance) C4'-P energy: -121.354 bonds (distance) P-C4' energy: -109.135 flat angles C4'-P-C4' energy: -148.456 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -224.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2613.144472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.144472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.144472 (E_RNA) where: Base-Base interactions energy: -1927.004 where: short stacking energy: -733.955 Base-Backbone interact. energy: -2.370 local terms energy: -683.770994 where: bonds (distance) C4'-P energy: -114.762 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -148.483 flat angles P-C4'-P energy: -93.514 tors. eta vs tors. theta energy: -217.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2575.992002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.992002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.992002 (E_RNA) where: Base-Base interactions energy: -1881.098 where: short stacking energy: -739.431 Base-Backbone interact. energy: -0.429 local terms energy: -694.464877 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -115.252 flat angles C4'-P-C4' energy: -150.633 flat angles P-C4'-P energy: -98.161 tors. eta vs tors. theta energy: -220.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2537.220945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.220945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.220945 (E_RNA) where: Base-Base interactions energy: -1878.892 where: short stacking energy: -725.388 Base-Backbone interact. energy: 8.812 local terms energy: -667.140950 where: bonds (distance) C4'-P energy: -100.589 bonds (distance) P-C4' energy: -99.707 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -98.120 tors. eta vs tors. theta energy: -222.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2392.974317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.974317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.974317 (E_RNA) where: Base-Base interactions energy: -1739.325 where: short stacking energy: -685.166 Base-Backbone interact. energy: -0.863 local terms energy: -652.785404 where: bonds (distance) C4'-P energy: -109.809 bonds (distance) P-C4' energy: -99.014 flat angles C4'-P-C4' energy: -142.392 flat angles P-C4'-P energy: -99.477 tors. eta vs tors. theta energy: -202.094 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: 3 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2316.385262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.385262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.385262 (E_RNA) where: Base-Base interactions energy: -1672.242 where: short stacking energy: -669.807 Base-Backbone interact. energy: 0.371 local terms energy: -644.514740 where: bonds (distance) C4'-P energy: -113.611 bonds (distance) P-C4' energy: -124.698 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -82.490 tors. eta vs tors. theta energy: -195.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2200.004717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.004717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.004717 (E_RNA) where: Base-Base interactions energy: -1608.585 where: short stacking energy: -627.690 Base-Backbone interact. energy: 3.199 local terms energy: -594.618972 where: bonds (distance) C4'-P energy: -92.722 bonds (distance) P-C4' energy: -97.113 flat angles C4'-P-C4' energy: -129.779 flat angles P-C4'-P energy: -93.575 tors. eta vs tors. theta energy: -181.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -2051.848441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.848441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.848441 (E_RNA) where: Base-Base interactions energy: -1481.895 where: short stacking energy: -568.578 Base-Backbone interact. energy: 0.941 local terms energy: -570.894877 where: bonds (distance) C4'-P energy: -107.358 bonds (distance) P-C4' energy: -98.336 flat angles C4'-P-C4' energy: -114.018 flat angles P-C4'-P energy: -79.866 tors. eta vs tors. theta energy: -171.317 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: 1 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1996.541836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.541836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.541836 (E_RNA) where: Base-Base interactions energy: -1464.386 where: short stacking energy: -580.654 Base-Backbone interact. energy: 3.660 local terms energy: -535.816181 where: bonds (distance) C4'-P energy: -91.020 bonds (distance) P-C4' energy: -90.846 flat angles C4'-P-C4' energy: -117.366 flat angles P-C4'-P energy: -70.790 tors. eta vs tors. theta energy: -165.794 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: 478 Temperature: 0.900000 Total energy: -2695.317955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.317955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.317955 (E_RNA) where: Base-Base interactions energy: -1962.060 where: short stacking energy: -768.993 Base-Backbone interact. energy: -0.882 local terms energy: -732.375682 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -122.409 flat angles C4'-P-C4' energy: -148.648 flat angles P-C4'-P energy: -105.315 tors. eta vs tors. theta energy: -231.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2620.775113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.775113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.775113 (E_RNA) where: Base-Base interactions energy: -1927.849 where: short stacking energy: -751.373 Base-Backbone interact. energy: 0.831 local terms energy: -693.757689 where: bonds (distance) C4'-P energy: -104.270 bonds (distance) P-C4' energy: -113.428 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -99.562 tors. eta vs tors. theta energy: -225.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2590.409991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.409991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.409991 (E_RNA) where: Base-Base interactions energy: -1895.170 where: short stacking energy: -740.959 Base-Backbone interact. energy: -2.229 local terms energy: -693.010413 where: bonds (distance) C4'-P energy: -117.488 bonds (distance) P-C4' energy: -111.374 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -105.340 tors. eta vs tors. theta energy: -218.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2566.731904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.731904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.731904 (E_RNA) where: Base-Base interactions energy: -1863.700 where: short stacking energy: -702.528 Base-Backbone interact. energy: -1.144 local terms energy: -701.887799 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -124.050 flat angles C4'-P-C4' energy: -153.847 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -221.185 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: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2536.663428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.663428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.663428 (E_RNA) where: Base-Base interactions energy: -1871.928 where: short stacking energy: -718.280 Base-Backbone interact. energy: -1.198 local terms energy: -663.537874 where: bonds (distance) C4'-P energy: -108.803 bonds (distance) P-C4' energy: -101.503 flat angles C4'-P-C4' energy: -142.404 flat angles P-C4'-P energy: -96.547 tors. eta vs tors. theta energy: -214.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2369.916181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.916181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.916181 (E_RNA) where: Base-Base interactions energy: -1729.026 where: short stacking energy: -666.971 Base-Backbone interact. energy: 1.117 local terms energy: -642.007557 where: bonds (distance) C4'-P energy: -110.786 bonds (distance) P-C4' energy: -109.435 flat angles C4'-P-C4' energy: -137.807 flat angles P-C4'-P energy: -88.230 tors. eta vs tors. theta energy: -195.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2291.201298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.201298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.201298 (E_RNA) where: Base-Base interactions energy: -1656.474 where: short stacking energy: -642.189 Base-Backbone interact. energy: -1.821 local terms energy: -632.906530 where: bonds (distance) C4'-P energy: -97.416 bonds (distance) P-C4' energy: -111.441 flat angles C4'-P-C4' energy: -138.237 flat angles P-C4'-P energy: -96.934 tors. eta vs tors. theta energy: -188.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2215.030334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.030334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.030334 (E_RNA) where: Base-Base interactions energy: -1629.783 where: short stacking energy: -642.517 Base-Backbone interact. energy: 4.833 local terms energy: -590.080039 where: bonds (distance) C4'-P energy: -87.424 bonds (distance) P-C4' energy: -97.151 flat angles C4'-P-C4' energy: -131.986 flat angles P-C4'-P energy: -92.070 tors. eta vs tors. theta energy: -181.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -2032.079111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.079111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.079111 (E_RNA) where: Base-Base interactions energy: -1464.182 where: short stacking energy: -557.975 Base-Backbone interact. energy: 10.177 local terms energy: -578.073607 where: bonds (distance) C4'-P energy: -73.296 bonds (distance) P-C4' energy: -113.834 flat angles C4'-P-C4' energy: -136.171 flat angles P-C4'-P energy: -89.564 tors. eta vs tors. theta energy: -165.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1967.850152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.850152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.850152 (E_RNA) where: Base-Base interactions energy: -1422.996 where: short stacking energy: -545.942 Base-Backbone interact. energy: 0.546 local terms energy: -545.399639 where: bonds (distance) C4'-P energy: -106.802 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -119.107 flat angles P-C4'-P energy: -84.525 tors. eta vs tors. theta energy: -144.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2669.144410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.144410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.144410 (E_RNA) where: Base-Base interactions energy: -1947.993 where: short stacking energy: -758.934 Base-Backbone interact. energy: -1.754 local terms energy: -719.397031 where: bonds (distance) C4'-P energy: -126.668 bonds (distance) P-C4' energy: -111.742 flat angles C4'-P-C4' energy: -149.302 flat angles P-C4'-P energy: -106.009 tors. eta vs tors. theta energy: -225.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2631.031380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.031380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.031380 (E_RNA) where: Base-Base interactions energy: -1922.939 where: short stacking energy: -747.097 Base-Backbone interact. energy: -0.979 local terms energy: -707.113493 where: bonds (distance) C4'-P energy: -124.327 bonds (distance) P-C4' energy: -109.134 flat angles C4'-P-C4' energy: -147.948 flat angles P-C4'-P energy: -104.221 tors. eta vs tors. theta energy: -221.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2597.699256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.699256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.699256 (E_RNA) where: Base-Base interactions energy: -1892.777 where: short stacking energy: -728.432 Base-Backbone interact. energy: -2.440 local terms energy: -702.482658 where: bonds (distance) C4'-P energy: -114.359 bonds (distance) P-C4' energy: -124.988 flat angles C4'-P-C4' energy: -148.051 flat angles P-C4'-P energy: -97.082 tors. eta vs tors. theta energy: -218.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2569.533607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.533607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.533607 (E_RNA) where: Base-Base interactions energy: -1887.600 where: short stacking energy: -722.154 Base-Backbone interact. energy: -1.686 local terms energy: -680.246888 where: bonds (distance) C4'-P energy: -106.165 bonds (distance) P-C4' energy: -108.443 flat angles C4'-P-C4' energy: -140.743 flat angles P-C4'-P energy: -107.566 tors. eta vs tors. theta energy: -217.331 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: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2527.836618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.836618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.836618 (E_RNA) where: Base-Base interactions energy: -1859.395 where: short stacking energy: -724.691 Base-Backbone interact. energy: 0.590 local terms energy: -669.031235 where: bonds (distance) C4'-P energy: -97.286 bonds (distance) P-C4' energy: -117.886 flat angles C4'-P-C4' energy: -138.529 flat angles P-C4'-P energy: -100.244 tors. eta vs tors. theta energy: -215.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2388.349779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.349779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.349779 (E_RNA) where: Base-Base interactions energy: -1756.728 where: short stacking energy: -707.107 Base-Backbone interact. energy: 2.040 local terms energy: -633.661541 where: bonds (distance) C4'-P energy: -90.468 bonds (distance) P-C4' energy: -105.670 flat angles C4'-P-C4' energy: -144.560 flat angles P-C4'-P energy: -83.305 tors. eta vs tors. theta energy: -209.658 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: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2284.534330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.534330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.534330 (E_RNA) where: Base-Base interactions energy: -1664.006 where: short stacking energy: -626.734 Base-Backbone interact. energy: 0.795 local terms energy: -621.323269 where: bonds (distance) C4'-P energy: -102.183 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -126.519 flat angles P-C4'-P energy: -95.595 tors. eta vs tors. theta energy: -180.906 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: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -2214.074087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.074087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.074087 (E_RNA) where: Base-Base interactions energy: -1630.659 where: short stacking energy: -631.369 Base-Backbone interact. energy: -2.398 local terms energy: -581.017301 where: bonds (distance) C4'-P energy: -86.586 bonds (distance) P-C4' energy: -109.311 flat angles C4'-P-C4' energy: -114.541 flat angles P-C4'-P energy: -88.531 tors. eta vs tors. theta energy: -182.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -2066.544961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.544961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.544961 (E_RNA) where: Base-Base interactions energy: -1512.449 where: short stacking energy: -587.319 Base-Backbone interact. energy: 4.642 local terms energy: -558.738159 where: bonds (distance) C4'-P energy: -111.124 bonds (distance) P-C4' energy: -89.378 flat angles C4'-P-C4' energy: -115.002 flat angles P-C4'-P energy: -74.959 tors. eta vs tors. theta energy: -168.275 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: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1985.865533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.865533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.865533 (E_RNA) where: Base-Base interactions energy: -1432.728 where: short stacking energy: -551.877 Base-Backbone interact. energy: 0.724 local terms energy: -553.860867 where: bonds (distance) C4'-P energy: -77.810 bonds (distance) P-C4' energy: -97.417 flat angles C4'-P-C4' energy: -144.003 flat angles P-C4'-P energy: -83.657 tors. eta vs tors. theta energy: -150.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2691.564819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.564819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.564819 (E_RNA) where: Base-Base interactions energy: -1958.518 where: short stacking energy: -749.730 Base-Backbone interact. energy: -1.870 local terms energy: -731.176547 where: bonds (distance) C4'-P energy: -109.037 bonds (distance) P-C4' energy: -128.711 flat angles C4'-P-C4' energy: -154.158 flat angles P-C4'-P energy: -109.835 tors. eta vs tors. theta energy: -229.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2635.966556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.966556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.966556 (E_RNA) where: Base-Base interactions energy: -1934.065 where: short stacking energy: -779.148 Base-Backbone interact. energy: -0.591 local terms energy: -701.311166 where: bonds (distance) C4'-P energy: -116.983 bonds (distance) P-C4' energy: -110.265 flat angles C4'-P-C4' energy: -154.151 flat angles P-C4'-P energy: -91.393 tors. eta vs tors. theta energy: -228.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2589.596207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.596207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.596207 (E_RNA) where: Base-Base interactions energy: -1880.934 where: short stacking energy: -723.647 Base-Backbone interact. energy: 0.014 local terms energy: -708.676282 where: bonds (distance) C4'-P energy: -122.430 bonds (distance) P-C4' energy: -117.182 flat angles C4'-P-C4' energy: -153.086 flat angles P-C4'-P energy: -97.358 tors. eta vs tors. theta energy: -218.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2544.144148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.144148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.144148 (E_RNA) where: Base-Base interactions energy: -1862.491 where: short stacking energy: -725.023 Base-Backbone interact. energy: -0.012 local terms energy: -681.640918 where: bonds (distance) C4'-P energy: -111.835 bonds (distance) P-C4' energy: -117.944 flat angles C4'-P-C4' energy: -140.723 flat angles P-C4'-P energy: -87.895 tors. eta vs tors. theta energy: -223.243 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: 5, replica: 7 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2492.895888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.895888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.895888 (E_RNA) where: Base-Base interactions energy: -1823.826 where: short stacking energy: -700.738 Base-Backbone interact. energy: -0.968 local terms energy: -668.102690 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -114.556 flat angles C4'-P-C4' energy: -141.605 flat angles P-C4'-P energy: -83.393 tors. eta vs tors. theta energy: -216.063 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: 480 Temperature: 1.150000 Total energy: -2374.538707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.538707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.538707 (E_RNA) where: Base-Base interactions energy: -1730.774 where: short stacking energy: -668.554 Base-Backbone interact. energy: -0.563 local terms energy: -643.201452 where: bonds (distance) C4'-P energy: -113.299 bonds (distance) P-C4' energy: -106.105 flat angles C4'-P-C4' energy: -130.281 flat angles P-C4'-P energy: -100.938 tors. eta vs tors. theta energy: -192.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2284.861265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.861265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.861265 (E_RNA) where: Base-Base interactions energy: -1672.880 where: short stacking energy: -673.081 Base-Backbone interact. energy: -1.423 local terms energy: -610.558020 where: bonds (distance) C4'-P energy: -92.917 bonds (distance) P-C4' energy: -94.858 flat angles C4'-P-C4' energy: -128.510 flat angles P-C4'-P energy: -95.230 tors. eta vs tors. theta energy: -199.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2237.052178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.052178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.052178 (E_RNA) where: Base-Base interactions energy: -1636.281 where: short stacking energy: -637.189 Base-Backbone interact. energy: -3.181 local terms energy: -597.590174 where: bonds (distance) C4'-P energy: -86.641 bonds (distance) P-C4' energy: -99.464 flat angles C4'-P-C4' energy: -129.899 flat angles P-C4'-P energy: -97.547 tors. eta vs tors. theta energy: -184.040 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: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1997.609537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.609537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.609537 (E_RNA) where: Base-Base interactions energy: -1464.834 where: short stacking energy: -559.051 Base-Backbone interact. energy: -1.668 local terms energy: -531.107014 where: bonds (distance) C4'-P energy: -87.325 bonds (distance) P-C4' energy: -96.220 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -65.942 tors. eta vs tors. theta energy: -160.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1988.593119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.593119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.593119 (E_RNA) where: Base-Base interactions energy: -1451.238 where: short stacking energy: -567.665 Base-Backbone interact. energy: -0.657 local terms energy: -536.698259 where: bonds (distance) C4'-P energy: -86.915 bonds (distance) P-C4' energy: -82.717 flat angles C4'-P-C4' energy: -128.988 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -161.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2701.140859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.140859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.140859 (E_RNA) where: Base-Base interactions energy: -1958.349 where: short stacking energy: -764.906 Base-Backbone interact. energy: -1.723 local terms energy: -741.069201 where: bonds (distance) C4'-P energy: -118.596 bonds (distance) P-C4' energy: -133.696 flat angles C4'-P-C4' energy: -150.292 flat angles P-C4'-P energy: -110.945 tors. eta vs tors. theta energy: -227.539 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: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2650.945911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.945911 (E_RNA) where: Base-Base interactions energy: -1939.121 where: short stacking energy: -768.343 Base-Backbone interact. energy: 1.567 local terms energy: -713.392231 where: bonds (distance) C4'-P energy: -120.599 bonds (distance) P-C4' energy: -129.578 flat angles C4'-P-C4' energy: -143.261 flat angles P-C4'-P energy: -92.538 tors. eta vs tors. theta energy: -227.416 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: 481 Temperature: 1.000000 Total energy: -2625.357757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.357757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.357757 (E_RNA) where: Base-Base interactions energy: -1913.184 where: short stacking energy: -748.866 Base-Backbone interact. energy: -1.280 local terms energy: -710.893644 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -129.296 flat angles C4'-P-C4' energy: -151.197 flat angles P-C4'-P energy: -93.678 tors. eta vs tors. theta energy: -217.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2530.058040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.058040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.058040 (E_RNA) where: Base-Base interactions energy: -1832.592 where: short stacking energy: -715.836 Base-Backbone interact. energy: -0.681 local terms energy: -696.785357 where: bonds (distance) C4'-P energy: -127.567 bonds (distance) P-C4' energy: -105.078 flat angles C4'-P-C4' energy: -152.155 flat angles P-C4'-P energy: -103.540 tors. eta vs tors. theta energy: -208.446 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: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2537.388334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.388334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.388334 (E_RNA) where: Base-Base interactions energy: -1865.155 where: short stacking energy: -736.067 Base-Backbone interact. energy: -1.301 local terms energy: -670.932033 where: bonds (distance) C4'-P energy: -103.688 bonds (distance) P-C4' energy: -121.515 flat angles C4'-P-C4' energy: -135.705 flat angles P-C4'-P energy: -92.868 tors. eta vs tors. theta energy: -217.156 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: 6, replica: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2401.714872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.714872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.714872 (E_RNA) where: Base-Base interactions energy: -1758.475 where: short stacking energy: -686.034 Base-Backbone interact. energy: -0.347 local terms energy: -642.893488 where: bonds (distance) C4'-P energy: -108.847 bonds (distance) P-C4' energy: -101.459 flat angles C4'-P-C4' energy: -132.520 flat angles P-C4'-P energy: -92.821 tors. eta vs tors. theta energy: -207.246 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: 3 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2311.134489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.134489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.134489 (E_RNA) where: Base-Base interactions energy: -1681.405 where: short stacking energy: -650.473 Base-Backbone interact. energy: 1.405 local terms energy: -631.134316 where: bonds (distance) C4'-P energy: -108.213 bonds (distance) P-C4' energy: -103.682 flat angles C4'-P-C4' energy: -136.027 flat angles P-C4'-P energy: -85.805 tors. eta vs tors. theta energy: -197.407 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: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2214.579872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.579872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.579872 (E_RNA) where: Base-Base interactions energy: -1598.212 where: short stacking energy: -613.128 Base-Backbone interact. energy: -1.392 local terms energy: -614.975341 where: bonds (distance) C4'-P energy: -78.747 bonds (distance) P-C4' energy: -112.562 flat angles C4'-P-C4' energy: -136.144 flat angles P-C4'-P energy: -93.507 tors. eta vs tors. theta energy: -194.015 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: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -2011.835350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.835350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.835350 (E_RNA) where: Base-Base interactions energy: -1473.504 where: short stacking energy: -569.771 Base-Backbone interact. energy: 0.419 local terms energy: -538.750800 where: bonds (distance) C4'-P energy: -87.939 bonds (distance) P-C4' energy: -78.004 flat angles C4'-P-C4' energy: -126.796 flat angles P-C4'-P energy: -84.179 tors. eta vs tors. theta energy: -161.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1905.763426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.763426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.763426 (E_RNA) where: Base-Base interactions energy: -1372.869 where: short stacking energy: -549.764 Base-Backbone interact. energy: 1.332 local terms energy: -534.227125 where: bonds (distance) C4'-P energy: -75.989 bonds (distance) P-C4' energy: -109.422 flat angles C4'-P-C4' energy: -130.723 flat angles P-C4'-P energy: -66.662 tors. eta vs tors. theta energy: -151.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2696.396932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.396932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.396932 (E_RNA) where: Base-Base interactions energy: -1969.287 where: short stacking energy: -764.430 Base-Backbone interact. energy: 1.255 local terms energy: -728.364652 where: bonds (distance) C4'-P energy: -112.292 bonds (distance) P-C4' energy: -132.075 flat angles C4'-P-C4' energy: -151.115 flat angles P-C4'-P energy: -107.350 tors. eta vs tors. theta energy: -225.532 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: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2622.216997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.216997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.216997 (E_RNA) where: Base-Base interactions energy: -1902.281 where: short stacking energy: -728.129 Base-Backbone interact. energy: -1.647 local terms energy: -718.288455 where: bonds (distance) C4'-P energy: -125.729 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -145.827 flat angles P-C4'-P energy: -102.255 tors. eta vs tors. theta energy: -212.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2587.291098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.291098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.291098 (E_RNA) where: Base-Base interactions energy: -1875.849 where: short stacking energy: -723.984 Base-Backbone interact. energy: -0.882 local terms energy: -710.559972 where: bonds (distance) C4'-P energy: -116.910 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -145.937 flat angles P-C4'-P energy: -108.896 tors. eta vs tors. theta energy: -223.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2534.831188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.831188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.831188 (E_RNA) where: Base-Base interactions energy: -1861.263 where: short stacking energy: -722.563 Base-Backbone interact. energy: -1.440 local terms energy: -672.128019 where: bonds (distance) C4'-P energy: -116.933 bonds (distance) P-C4' energy: -108.185 flat angles C4'-P-C4' energy: -145.408 flat angles P-C4'-P energy: -86.958 tors. eta vs tors. theta energy: -214.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2528.081404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.081404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.081404 (E_RNA) where: Base-Base interactions energy: -1848.437 where: short stacking energy: -702.038 Base-Backbone interact. energy: 0.478 local terms energy: -680.123038 where: bonds (distance) C4'-P energy: -108.920 bonds (distance) P-C4' energy: -113.119 flat angles C4'-P-C4' energy: -139.135 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -219.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2389.695224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.695224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.695224 (E_RNA) where: Base-Base interactions energy: -1746.901 where: short stacking energy: -681.109 Base-Backbone interact. energy: -0.077 local terms energy: -642.717339 where: bonds (distance) C4'-P energy: -112.273 bonds (distance) P-C4' energy: -104.961 flat angles C4'-P-C4' energy: -138.326 flat angles P-C4'-P energy: -84.252 tors. eta vs tors. theta energy: -202.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2298.553116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.553116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.553116 (E_RNA) where: Base-Base interactions energy: -1675.641 where: short stacking energy: -638.234 Base-Backbone interact. energy: -0.164 local terms energy: -622.748872 where: bonds (distance) C4'-P energy: -108.461 bonds (distance) P-C4' energy: -102.873 flat angles C4'-P-C4' energy: -132.586 flat angles P-C4'-P energy: -86.007 tors. eta vs tors. theta energy: -192.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2213.612421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.612421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.612421 (E_RNA) where: Base-Base interactions energy: -1622.190 where: short stacking energy: -636.201 Base-Backbone interact. energy: -0.732 local terms energy: -590.691269 where: bonds (distance) C4'-P energy: -94.362 bonds (distance) P-C4' energy: -91.849 flat angles C4'-P-C4' energy: -131.034 flat angles P-C4'-P energy: -80.492 tors. eta vs tors. theta energy: -192.955 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: 2 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -2067.237523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.237523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.237523 (E_RNA) where: Base-Base interactions energy: -1490.266 where: short stacking energy: -585.675 Base-Backbone interact. energy: 0.691 local terms energy: -577.663320 where: bonds (distance) C4'-P energy: -101.925 bonds (distance) P-C4' energy: -104.779 flat angles C4'-P-C4' energy: -128.421 flat angles P-C4'-P energy: -75.796 tors. eta vs tors. theta energy: -166.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1957.278607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.278607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.278607 (E_RNA) where: Base-Base interactions energy: -1403.211 where: short stacking energy: -549.410 Base-Backbone interact. energy: -0.219 local terms energy: -553.848141 where: bonds (distance) C4'-P energy: -111.967 bonds (distance) P-C4' energy: -103.645 flat angles C4'-P-C4' energy: -118.246 flat angles P-C4'-P energy: -66.884 tors. eta vs tors. theta energy: -153.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2693.323686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.323686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.323686 (E_RNA) where: Base-Base interactions energy: -1953.370 where: short stacking energy: -766.671 Base-Backbone interact. energy: 0.143 local terms energy: -740.096669 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -133.124 flat angles C4'-P-C4' energy: -146.774 flat angles P-C4'-P energy: -111.842 tors. eta vs tors. theta energy: -229.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2639.955095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.955095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.955095 (E_RNA) where: Base-Base interactions energy: -1913.033 where: short stacking energy: -745.709 Base-Backbone interact. energy: 0.045 local terms energy: -726.967161 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -126.740 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -217.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2572.595939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.595939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.595939 (E_RNA) where: Base-Base interactions energy: -1884.212 where: short stacking energy: -723.847 Base-Backbone interact. energy: -0.725 local terms energy: -687.658685 where: bonds (distance) C4'-P energy: -108.910 bonds (distance) P-C4' energy: -124.673 flat angles C4'-P-C4' energy: -143.432 flat angles P-C4'-P energy: -98.740 tors. eta vs tors. theta energy: -211.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2562.709029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.709029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.709029 (E_RNA) where: Base-Base interactions energy: -1876.172 where: short stacking energy: -726.080 Base-Backbone interact. energy: 0.095 local terms energy: -686.631726 where: bonds (distance) C4'-P energy: -121.762 bonds (distance) P-C4' energy: -113.041 flat angles C4'-P-C4' energy: -141.866 flat angles P-C4'-P energy: -89.620 tors. eta vs tors. theta energy: -220.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2516.720431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.720431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.720431 (E_RNA) where: Base-Base interactions energy: -1835.907 where: short stacking energy: -712.024 Base-Backbone interact. energy: -0.456 local terms energy: -680.357161 where: bonds (distance) C4'-P energy: -118.381 bonds (distance) P-C4' energy: -111.367 flat angles C4'-P-C4' energy: -146.135 flat angles P-C4'-P energy: -96.632 tors. eta vs tors. theta energy: -207.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2385.564078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.564078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.564078 (E_RNA) where: Base-Base interactions energy: -1744.045 where: short stacking energy: -687.075 Base-Backbone interact. energy: -0.945 local terms energy: -640.574239 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -118.779 flat angles C4'-P-C4' energy: -124.431 flat angles P-C4'-P energy: -97.409 tors. eta vs tors. theta energy: -215.008 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: 3 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2303.984171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.984171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.984171 (E_RNA) where: Base-Base interactions energy: -1672.053 where: short stacking energy: -650.520 Base-Backbone interact. energy: -0.300 local terms energy: -631.631125 where: bonds (distance) C4'-P energy: -96.133 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -135.251 flat angles P-C4'-P energy: -92.407 tors. eta vs tors. theta energy: -202.638 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: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2230.232614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.232614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.232614 (E_RNA) where: Base-Base interactions energy: -1635.219 where: short stacking energy: -635.678 Base-Backbone interact. energy: -1.101 local terms energy: -593.913304 where: bonds (distance) C4'-P energy: -95.862 bonds (distance) P-C4' energy: -88.613 flat angles C4'-P-C4' energy: -135.190 flat angles P-C4'-P energy: -77.107 tors. eta vs tors. theta energy: -197.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -2001.688504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.688504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.688504 (E_RNA) where: Base-Base interactions energy: -1440.195 where: short stacking energy: -560.212 Base-Backbone interact. energy: -1.635 local terms energy: -559.859150 where: bonds (distance) C4'-P energy: -100.297 bonds (distance) P-C4' energy: -105.366 flat angles C4'-P-C4' energy: -118.541 flat angles P-C4'-P energy: -86.164 tors. eta vs tors. theta energy: -149.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1923.658323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.658323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.658323 (E_RNA) where: Base-Base interactions energy: -1390.999 where: short stacking energy: -551.014 Base-Backbone interact. energy: 2.897 local terms energy: -535.556249 where: bonds (distance) C4'-P energy: -92.636 bonds (distance) P-C4' energy: -80.653 flat angles C4'-P-C4' energy: -124.735 flat angles P-C4'-P energy: -79.532 tors. eta vs tors. theta energy: -158.000 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: 484 Temperature: 0.900000 Total energy: -2696.677231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.677231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.677231 (E_RNA) where: Base-Base interactions energy: -1945.158 where: short stacking energy: -753.103 Base-Backbone interact. energy: -0.363 local terms energy: -751.155840 where: bonds (distance) C4'-P energy: -130.968 bonds (distance) P-C4' energy: -136.363 flat angles C4'-P-C4' energy: -146.516 flat angles P-C4'-P energy: -107.062 tors. eta vs tors. theta energy: -230.247 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: 8 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2640.244228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.244228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.244228 (E_RNA) where: Base-Base interactions energy: -1917.335 where: short stacking energy: -747.084 Base-Backbone interact. energy: -1.424 local terms energy: -721.485610 where: bonds (distance) C4'-P energy: -122.288 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -100.415 tors. eta vs tors. theta energy: -220.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2613.330904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.330904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.330904 (E_RNA) where: Base-Base interactions energy: -1907.749 where: short stacking energy: -729.150 Base-Backbone interact. energy: 0.653 local terms energy: -706.235027 where: bonds (distance) C4'-P energy: -125.808 bonds (distance) P-C4' energy: -115.029 flat angles C4'-P-C4' energy: -145.046 flat angles P-C4'-P energy: -105.718 tors. eta vs tors. theta energy: -214.635 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: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2541.179941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.179941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.179941 (E_RNA) where: Base-Base interactions energy: -1861.439 where: short stacking energy: -706.720 Base-Backbone interact. energy: -1.776 local terms energy: -677.965724 where: bonds (distance) C4'-P energy: -108.853 bonds (distance) P-C4' energy: -118.174 flat angles C4'-P-C4' energy: -145.657 flat angles P-C4'-P energy: -92.651 tors. eta vs tors. theta energy: -212.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2505.048251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.048251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.048251 (E_RNA) where: Base-Base interactions energy: -1818.438 where: short stacking energy: -712.195 Base-Backbone interact. energy: 0.410 local terms energy: -687.020722 where: bonds (distance) C4'-P energy: -121.464 bonds (distance) P-C4' energy: -103.500 flat angles C4'-P-C4' energy: -146.801 flat angles P-C4'-P energy: -100.486 tors. eta vs tors. theta energy: -214.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2396.658144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.658144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.658144 (E_RNA) where: Base-Base interactions energy: -1751.337 where: short stacking energy: -684.357 Base-Backbone interact. energy: 0.567 local terms energy: -645.888565 where: bonds (distance) C4'-P energy: -105.846 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -92.713 tors. eta vs tors. theta energy: -198.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2276.332332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.332332 (E_RNA) where: Base-Base interactions energy: -1654.562 where: short stacking energy: -638.378 Base-Backbone interact. energy: 1.429 local terms energy: -623.199578 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -103.580 flat angles C4'-P-C4' energy: -129.970 flat angles P-C4'-P energy: -89.099 tors. eta vs tors. theta energy: -189.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2217.924109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.924109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.924109 (E_RNA) where: Base-Base interactions energy: -1612.243 where: short stacking energy: -627.473 Base-Backbone interact. energy: -0.931 local terms energy: -604.750422 where: bonds (distance) C4'-P energy: -88.765 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -135.713 flat angles P-C4'-P energy: -96.476 tors. eta vs tors. theta energy: -195.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1971.929279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.929279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.929279 (E_RNA) where: Base-Base interactions energy: -1412.767 where: short stacking energy: -537.807 Base-Backbone interact. energy: 4.350 local terms energy: -563.512008 where: bonds (distance) C4'-P energy: -113.183 bonds (distance) P-C4' energy: -118.837 flat angles C4'-P-C4' energy: -112.794 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -150.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1975.662967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.662967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.662967 (E_RNA) where: Base-Base interactions energy: -1449.040 where: short stacking energy: -560.791 Base-Backbone interact. energy: -1.342 local terms energy: -525.281635 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -88.831 flat angles C4'-P-C4' energy: -116.846 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -160.651 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: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2693.065603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.065603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.065603 (E_RNA) where: Base-Base interactions energy: -1953.803 where: short stacking energy: -753.603 Base-Backbone interact. energy: -2.991 local terms energy: -736.272143 where: bonds (distance) C4'-P energy: -126.427 bonds (distance) P-C4' energy: -126.673 flat angles C4'-P-C4' energy: -154.295 flat angles P-C4'-P energy: -107.172 tors. eta vs tors. theta energy: -221.705 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: 2, replica: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2642.513300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.513300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.513300 (E_RNA) where: Base-Base interactions energy: -1942.876 where: short stacking energy: -742.202 Base-Backbone interact. energy: 0.686 local terms energy: -700.323431 where: bonds (distance) C4'-P energy: -114.354 bonds (distance) P-C4' energy: -129.397 flat angles C4'-P-C4' energy: -133.229 flat angles P-C4'-P energy: -105.308 tors. eta vs tors. theta energy: -218.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2601.732019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.732019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.732019 (E_RNA) where: Base-Base interactions energy: -1903.301 where: short stacking energy: -738.474 Base-Backbone interact. energy: -1.786 local terms energy: -696.645156 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -121.157 flat angles C4'-P-C4' energy: -141.412 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -222.481 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: 4, replica: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2574.021245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.021245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.021245 (E_RNA) where: Base-Base interactions energy: -1865.170 where: short stacking energy: -727.812 Base-Backbone interact. energy: -1.681 local terms energy: -707.170399 where: bonds (distance) C4'-P energy: -100.393 bonds (distance) P-C4' energy: -128.358 flat angles C4'-P-C4' energy: -146.433 flat angles P-C4'-P energy: -113.669 tors. eta vs tors. theta energy: -218.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2488.905723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.905723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.905723 (E_RNA) where: Base-Base interactions energy: -1827.103 where: short stacking energy: -709.036 Base-Backbone interact. energy: -0.847 local terms energy: -660.955075 where: bonds (distance) C4'-P energy: -106.896 bonds (distance) P-C4' energy: -99.148 flat angles C4'-P-C4' energy: -145.625 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -214.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2406.182212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.182212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.182212 (E_RNA) where: Base-Base interactions energy: -1750.886 where: short stacking energy: -689.270 Base-Backbone interact. energy: -1.960 local terms energy: -653.336521 where: bonds (distance) C4'-P energy: -113.697 bonds (distance) P-C4' energy: -101.816 flat angles C4'-P-C4' energy: -132.084 flat angles P-C4'-P energy: -99.839 tors. eta vs tors. theta energy: -205.901 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: 3 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2318.726120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.726120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.726120 (E_RNA) where: Base-Base interactions energy: -1694.463 where: short stacking energy: -671.571 Base-Backbone interact. energy: -1.324 local terms energy: -622.938809 where: bonds (distance) C4'-P energy: -112.367 bonds (distance) P-C4' energy: -100.813 flat angles C4'-P-C4' energy: -125.203 flat angles P-C4'-P energy: -85.313 tors. eta vs tors. theta energy: -199.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2216.737124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.737124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.737124 (E_RNA) where: Base-Base interactions energy: -1646.308 where: short stacking energy: -642.580 Base-Backbone interact. energy: -0.929 local terms energy: -569.500059 where: bonds (distance) C4'-P energy: -81.056 bonds (distance) P-C4' energy: -97.465 flat angles C4'-P-C4' energy: -124.684 flat angles P-C4'-P energy: -78.133 tors. eta vs tors. theta energy: -188.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -2025.424529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.424529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.424529 (E_RNA) where: Base-Base interactions energy: -1472.979 where: short stacking energy: -561.182 Base-Backbone interact. energy: -0.844 local terms energy: -551.602175 where: bonds (distance) C4'-P energy: -84.140 bonds (distance) P-C4' energy: -97.275 flat angles C4'-P-C4' energy: -125.112 flat angles P-C4'-P energy: -81.117 tors. eta vs tors. theta energy: -163.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1972.378905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.378905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.378905 (E_RNA) where: Base-Base interactions energy: -1423.877 where: short stacking energy: -558.923 Base-Backbone interact. energy: 2.460 local terms energy: -550.961560 where: bonds (distance) C4'-P energy: -95.887 bonds (distance) P-C4' energy: -98.389 flat angles C4'-P-C4' energy: -120.749 flat angles P-C4'-P energy: -73.700 tors. eta vs tors. theta energy: -162.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2690.094774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.094774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.094774 (E_RNA) where: Base-Base interactions energy: -1957.447 where: short stacking energy: -768.759 Base-Backbone interact. energy: 0.278 local terms energy: -732.925939 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -124.877 flat angles C4'-P-C4' energy: -148.562 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -232.330 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: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2665.156027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.156027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.156027 (E_RNA) where: Base-Base interactions energy: -1919.140 where: short stacking energy: -742.538 Base-Backbone interact. energy: -2.226 local terms energy: -743.790652 where: bonds (distance) C4'-P energy: -123.436 bonds (distance) P-C4' energy: -134.937 flat angles C4'-P-C4' energy: -151.111 flat angles P-C4'-P energy: -108.117 tors. eta vs tors. theta energy: -226.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2629.978902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.978902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.978902 (E_RNA) where: Base-Base interactions energy: -1907.146 where: short stacking energy: -737.046 Base-Backbone interact. energy: -2.198 local terms energy: -720.634713 where: bonds (distance) C4'-P energy: -122.043 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -149.204 flat angles P-C4'-P energy: -91.202 tors. eta vs tors. theta energy: -220.679 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: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2587.670287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.670287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.670287 (E_RNA) where: Base-Base interactions energy: -1894.097 where: short stacking energy: -724.537 Base-Backbone interact. energy: -3.775 local terms energy: -689.798892 where: bonds (distance) C4'-P energy: -110.317 bonds (distance) P-C4' energy: -126.130 flat angles C4'-P-C4' energy: -136.555 flat angles P-C4'-P energy: -97.394 tors. eta vs tors. theta energy: -219.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2451.728877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.728877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.728877 (E_RNA) where: Base-Base interactions energy: -1786.974 where: short stacking energy: -696.190 Base-Backbone interact. energy: -0.437 local terms energy: -664.317665 where: bonds (distance) C4'-P energy: -114.364 bonds (distance) P-C4' energy: -112.597 flat angles C4'-P-C4' energy: -139.144 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -207.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2404.448496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.448496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.448496 (E_RNA) where: Base-Base interactions energy: -1768.333 where: short stacking energy: -679.672 Base-Backbone interact. energy: -2.207 local terms energy: -633.908516 where: bonds (distance) C4'-P energy: -98.453 bonds (distance) P-C4' energy: -118.161 flat angles C4'-P-C4' energy: -132.983 flat angles P-C4'-P energy: -73.970 tors. eta vs tors. theta energy: -210.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2279.818371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.818371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.818371 (E_RNA) where: Base-Base interactions energy: -1682.295 where: short stacking energy: -653.595 Base-Backbone interact. energy: 1.528 local terms energy: -599.050774 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -101.165 flat angles C4'-P-C4' energy: -118.153 flat angles P-C4'-P energy: -84.918 tors. eta vs tors. theta energy: -182.481 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: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -2200.925185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.925185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.925185 (E_RNA) where: Base-Base interactions energy: -1602.958 where: short stacking energy: -630.427 Base-Backbone interact. energy: 0.352 local terms energy: -598.319115 where: bonds (distance) C4'-P energy: -116.151 bonds (distance) P-C4' energy: -100.771 flat angles C4'-P-C4' energy: -130.866 flat angles P-C4'-P energy: -73.627 tors. eta vs tors. theta energy: -176.904 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: 2 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -2004.107825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.107825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.107825 (E_RNA) where: Base-Base interactions energy: -1482.385 where: short stacking energy: -563.574 Base-Backbone interact. energy: -3.326 local terms energy: -518.397292 where: bonds (distance) C4'-P energy: -83.033 bonds (distance) P-C4' energy: -82.791 flat angles C4'-P-C4' energy: -121.537 flat angles P-C4'-P energy: -70.113 tors. eta vs tors. theta energy: -160.923 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: 10, replica: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1940.273926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.273926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.273926 (E_RNA) where: Base-Base interactions energy: -1390.476 where: short stacking energy: -543.768 Base-Backbone interact. energy: -1.927 local terms energy: -547.870689 where: bonds (distance) C4'-P energy: -96.878 bonds (distance) P-C4' energy: -102.377 flat angles C4'-P-C4' energy: -118.762 flat angles P-C4'-P energy: -70.865 tors. eta vs tors. theta energy: -158.988 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: 487 Temperature: 0.900000 Total energy: -2684.995968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.995968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.995968 (E_RNA) where: Base-Base interactions energy: -1951.428 where: short stacking energy: -742.449 Base-Backbone interact. energy: -1.061 local terms energy: -732.506840 where: bonds (distance) C4'-P energy: -117.506 bonds (distance) P-C4' energy: -125.194 flat angles C4'-P-C4' energy: -153.189 flat angles P-C4'-P energy: -112.389 tors. eta vs tors. theta energy: -224.229 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: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2637.915299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.915299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.915299 (E_RNA) where: Base-Base interactions energy: -1930.478 where: short stacking energy: -757.864 Base-Backbone interact. energy: -1.079 local terms energy: -706.357651 where: bonds (distance) C4'-P energy: -114.704 bonds (distance) P-C4' energy: -113.926 flat angles C4'-P-C4' energy: -149.580 flat angles P-C4'-P energy: -104.344 tors. eta vs tors. theta energy: -223.804 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: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2590.231756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.231756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.231756 (E_RNA) where: Base-Base interactions energy: -1883.833 where: short stacking energy: -734.318 Base-Backbone interact. energy: -1.326 local terms energy: -705.072312 where: bonds (distance) C4'-P energy: -118.205 bonds (distance) P-C4' energy: -118.478 flat angles C4'-P-C4' energy: -146.885 flat angles P-C4'-P energy: -105.913 tors. eta vs tors. theta energy: -215.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2497.463581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.463581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.463581 (E_RNA) where: Base-Base interactions energy: -1804.217 where: short stacking energy: -715.445 Base-Backbone interact. energy: 0.477 local terms energy: -693.724161 where: bonds (distance) C4'-P energy: -108.568 bonds (distance) P-C4' energy: -113.409 flat angles C4'-P-C4' energy: -142.900 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -214.382 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: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2517.649042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.649042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.649042 (E_RNA) where: Base-Base interactions energy: -1837.958 where: short stacking energy: -712.511 Base-Backbone interact. energy: -1.361 local terms energy: -678.330436 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -116.522 flat angles C4'-P-C4' energy: -139.110 flat angles P-C4'-P energy: -102.242 tors. eta vs tors. theta energy: -214.422 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: 487 Temperature: 1.150000 Total energy: -2456.782688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.782688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.782688 (E_RNA) where: Base-Base interactions energy: -1790.012 where: short stacking energy: -689.020 Base-Backbone interact. energy: -4.878 local terms energy: -661.893051 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -112.528 flat angles C4'-P-C4' energy: -134.543 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -217.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2285.712655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.712655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.712655 (E_RNA) where: Base-Base interactions energy: -1646.920 where: short stacking energy: -642.344 Base-Backbone interact. energy: -1.134 local terms energy: -637.658496 where: bonds (distance) C4'-P energy: -109.540 bonds (distance) P-C4' energy: -116.893 flat angles C4'-P-C4' energy: -129.586 flat angles P-C4'-P energy: -84.377 tors. eta vs tors. theta energy: -197.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2233.541892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.541892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.541892 (E_RNA) where: Base-Base interactions energy: -1618.691 where: short stacking energy: -632.376 Base-Backbone interact. energy: -1.955 local terms energy: -612.896219 where: bonds (distance) C4'-P energy: -106.260 bonds (distance) P-C4' energy: -103.239 flat angles C4'-P-C4' energy: -134.569 flat angles P-C4'-P energy: -73.775 tors. eta vs tors. theta energy: -195.052 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: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -2030.467178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.467178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.467178 (E_RNA) where: Base-Base interactions energy: -1484.289 where: short stacking energy: -560.640 Base-Backbone interact. energy: -1.721 local terms energy: -544.457220 where: bonds (distance) C4'-P energy: -100.584 bonds (distance) P-C4' energy: -85.516 flat angles C4'-P-C4' energy: -122.801 flat angles P-C4'-P energy: -69.413 tors. eta vs tors. theta energy: -166.143 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: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1937.932497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.932497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.932497 (E_RNA) where: Base-Base interactions energy: -1386.819 where: short stacking energy: -541.572 Base-Backbone interact. energy: -2.368 local terms energy: -548.745614 where: bonds (distance) C4'-P energy: -105.140 bonds (distance) P-C4' energy: -95.716 flat angles C4'-P-C4' energy: -122.973 flat angles P-C4'-P energy: -61.398 tors. eta vs tors. theta energy: -163.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2675.127419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.127419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.127419 (E_RNA) where: Base-Base interactions energy: -1956.131 where: short stacking energy: -749.928 Base-Backbone interact. energy: -0.404 local terms energy: -718.591660 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -125.068 flat angles C4'-P-C4' energy: -148.140 flat angles P-C4'-P energy: -101.685 tors. eta vs tors. theta energy: -224.537 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: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2667.974117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.974117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.974117 (E_RNA) where: Base-Base interactions energy: -1926.936 where: short stacking energy: -760.935 Base-Backbone interact. energy: 1.991 local terms energy: -743.029585 where: bonds (distance) C4'-P energy: -120.991 bonds (distance) P-C4' energy: -128.064 flat angles C4'-P-C4' energy: -154.267 flat angles P-C4'-P energy: -106.369 tors. eta vs tors. theta energy: -233.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2608.156742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.156742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.156742 (E_RNA) where: Base-Base interactions energy: -1922.027 where: short stacking energy: -738.805 Base-Backbone interact. energy: -1.569 local terms energy: -684.560509 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -121.021 flat angles C4'-P-C4' energy: -136.715 flat angles P-C4'-P energy: -89.818 tors. eta vs tors. theta energy: -218.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2504.611952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.611952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.611952 (E_RNA) where: Base-Base interactions energy: -1816.424 where: short stacking energy: -724.769 Base-Backbone interact. energy: -0.749 local terms energy: -687.439044 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -121.459 flat angles C4'-P-C4' energy: -143.726 flat angles P-C4'-P energy: -105.075 tors. eta vs tors. theta energy: -208.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2503.660853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.660853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.660853 (E_RNA) where: Base-Base interactions energy: -1825.839 where: short stacking energy: -722.975 Base-Backbone interact. energy: 0.103 local terms energy: -677.924866 where: bonds (distance) C4'-P energy: -120.489 bonds (distance) P-C4' energy: -101.091 flat angles C4'-P-C4' energy: -148.005 flat angles P-C4'-P energy: -92.448 tors. eta vs tors. theta energy: -215.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2475.298437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.298437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.298437 (E_RNA) where: Base-Base interactions energy: -1820.666 where: short stacking energy: -702.940 Base-Backbone interact. energy: -0.219 local terms energy: -654.413498 where: bonds (distance) C4'-P energy: -101.969 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -140.687 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -216.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2287.913162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.913162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.913162 (E_RNA) where: Base-Base interactions energy: -1695.256 where: short stacking energy: -690.360 Base-Backbone interact. energy: 2.057 local terms energy: -594.713660 where: bonds (distance) C4'-P energy: -95.586 bonds (distance) P-C4' energy: -92.508 flat angles C4'-P-C4' energy: -133.073 flat angles P-C4'-P energy: -82.088 tors. eta vs tors. theta energy: -191.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2181.848091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.848091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.848091 (E_RNA) where: Base-Base interactions energy: -1586.118 where: short stacking energy: -627.396 Base-Backbone interact. energy: -1.684 local terms energy: -594.046412 where: bonds (distance) C4'-P energy: -88.724 bonds (distance) P-C4' energy: -101.227 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -90.890 tors. eta vs tors. theta energy: -177.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1950.029256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.029256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.029256 (E_RNA) where: Base-Base interactions energy: -1397.476 where: short stacking energy: -554.335 Base-Backbone interact. energy: -0.123 local terms energy: -552.430419 where: bonds (distance) C4'-P energy: -107.858 bonds (distance) P-C4' energy: -90.720 flat angles C4'-P-C4' energy: -123.416 flat angles P-C4'-P energy: -79.466 tors. eta vs tors. theta energy: -150.970 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: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1942.944261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.944261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.944261 (E_RNA) where: Base-Base interactions energy: -1421.490 where: short stacking energy: -530.193 Base-Backbone interact. energy: 5.543 local terms energy: -526.996904 where: bonds (distance) C4'-P energy: -86.040 bonds (distance) P-C4' energy: -96.544 flat angles C4'-P-C4' energy: -112.190 flat angles P-C4'-P energy: -81.091 tors. eta vs tors. theta energy: -151.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2695.130551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.130551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.130551 (E_RNA) where: Base-Base interactions energy: -1950.391 where: short stacking energy: -746.366 Base-Backbone interact. energy: -0.395 local terms energy: -744.344490 where: bonds (distance) C4'-P energy: -117.207 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -156.868 flat angles P-C4'-P energy: -123.731 tors. eta vs tors. theta energy: -212.669 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: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2634.106202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.106202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.106202 (E_RNA) where: Base-Base interactions energy: -1920.066 where: short stacking energy: -747.059 Base-Backbone interact. energy: -1.037 local terms energy: -713.002302 where: bonds (distance) C4'-P energy: -122.351 bonds (distance) P-C4' energy: -122.096 flat angles C4'-P-C4' energy: -155.885 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -218.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2592.431605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.431605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.431605 (E_RNA) where: Base-Base interactions energy: -1890.887 where: short stacking energy: -742.523 Base-Backbone interact. energy: -0.295 local terms energy: -701.249439 where: bonds (distance) C4'-P energy: -114.748 bonds (distance) P-C4' energy: -128.047 flat angles C4'-P-C4' energy: -144.071 flat angles P-C4'-P energy: -101.563 tors. eta vs tors. theta energy: -212.819 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: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2522.998191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.998191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.998191 (E_RNA) where: Base-Base interactions energy: -1839.328 where: short stacking energy: -718.629 Base-Backbone interact. energy: -1.099 local terms energy: -682.570880 where: bonds (distance) C4'-P energy: -118.820 bonds (distance) P-C4' energy: -118.697 flat angles C4'-P-C4' energy: -136.871 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -215.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2435.492031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.492031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.492031 (E_RNA) where: Base-Base interactions energy: -1772.762 where: short stacking energy: -704.355 Base-Backbone interact. energy: -0.229 local terms energy: -662.501066 where: bonds (distance) C4'-P energy: -111.472 bonds (distance) P-C4' energy: -99.524 flat angles C4'-P-C4' energy: -140.688 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -207.723 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: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2495.697679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.697679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.697679 (E_RNA) where: Base-Base interactions energy: -1821.265 where: short stacking energy: -705.354 Base-Backbone interact. energy: 1.769 local terms energy: -676.201695 where: bonds (distance) C4'-P energy: -104.128 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -135.636 flat angles P-C4'-P energy: -100.045 tors. eta vs tors. theta energy: -220.658 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: 3 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2300.083772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.083772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.083772 (E_RNA) where: Base-Base interactions energy: -1693.666 where: short stacking energy: -668.633 Base-Backbone interact. energy: -2.499 local terms energy: -603.918925 where: bonds (distance) C4'-P energy: -96.213 bonds (distance) P-C4' energy: -91.305 flat angles C4'-P-C4' energy: -122.107 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -202.012 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: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2173.185552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.185552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.185552 (E_RNA) where: Base-Base interactions energy: -1599.672 where: short stacking energy: -614.660 Base-Backbone interact. energy: -1.320 local terms energy: -572.193372 where: bonds (distance) C4'-P energy: -96.435 bonds (distance) P-C4' energy: -95.052 flat angles C4'-P-C4' energy: -119.732 flat angles P-C4'-P energy: -83.210 tors. eta vs tors. theta energy: -177.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -2053.892503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.892503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.892503 (E_RNA) where: Base-Base interactions energy: -1504.608 where: short stacking energy: -595.075 Base-Backbone interact. energy: -1.279 local terms energy: -548.006270 where: bonds (distance) C4'-P energy: -85.411 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -116.776 flat angles P-C4'-P energy: -82.590 tors. eta vs tors. theta energy: -167.219 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: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1964.694851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.694851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.694851 (E_RNA) where: Base-Base interactions energy: -1424.423 where: short stacking energy: -573.140 Base-Backbone interact. energy: 3.180 local terms energy: -543.452335 where: bonds (distance) C4'-P energy: -82.454 bonds (distance) P-C4' energy: -90.127 flat angles C4'-P-C4' energy: -119.099 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -168.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2695.751114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.751114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.751114 (E_RNA) where: Base-Base interactions energy: -1973.426 where: short stacking energy: -774.530 Base-Backbone interact. energy: -1.653 local terms energy: -720.671904 where: bonds (distance) C4'-P energy: -117.769 bonds (distance) P-C4' energy: -119.671 flat angles C4'-P-C4' energy: -151.996 flat angles P-C4'-P energy: -107.306 tors. eta vs tors. theta energy: -223.929 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: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2626.350443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.350443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.350443 (E_RNA) where: Base-Base interactions energy: -1902.607 where: short stacking energy: -746.871 Base-Backbone interact. energy: -0.784 local terms energy: -722.960043 where: bonds (distance) C4'-P energy: -127.301 bonds (distance) P-C4' energy: -124.434 flat angles C4'-P-C4' energy: -143.959 flat angles P-C4'-P energy: -109.569 tors. eta vs tors. theta energy: -217.698 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: 3, replica: 10 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2615.771133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.771133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.771133 (E_RNA) where: Base-Base interactions energy: -1943.621 where: short stacking energy: -761.084 Base-Backbone interact. energy: -2.488 local terms energy: -669.662434 where: bonds (distance) C4'-P energy: -109.921 bonds (distance) P-C4' energy: -107.323 flat angles C4'-P-C4' energy: -143.165 flat angles P-C4'-P energy: -91.263 tors. eta vs tors. theta energy: -217.991 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: 7 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2520.999730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.999730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.999730 (E_RNA) where: Base-Base interactions energy: -1853.741 where: short stacking energy: -721.406 Base-Backbone interact. energy: -0.100 local terms energy: -667.158870 where: bonds (distance) C4'-P energy: -106.415 bonds (distance) P-C4' energy: -108.097 flat angles C4'-P-C4' energy: -135.090 flat angles P-C4'-P energy: -102.504 tors. eta vs tors. theta energy: -215.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2510.664992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.664992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.664992 (E_RNA) where: Base-Base interactions energy: -1844.928 where: short stacking energy: -707.125 Base-Backbone interact. energy: -1.040 local terms energy: -664.697365 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -134.660 flat angles P-C4'-P energy: -105.880 tors. eta vs tors. theta energy: -216.904 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: 5 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2397.186333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.186333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.186333 (E_RNA) where: Base-Base interactions energy: -1742.799 where: short stacking energy: -671.450 Base-Backbone interact. energy: -0.655 local terms energy: -653.732856 where: bonds (distance) C4'-P energy: -87.876 bonds (distance) P-C4' energy: -122.127 flat angles C4'-P-C4' energy: -139.299 flat angles P-C4'-P energy: -101.302 tors. eta vs tors. theta energy: -203.130 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: 6 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2237.516071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.516071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.516071 (E_RNA) where: Base-Base interactions energy: -1614.311 where: short stacking energy: -638.021 Base-Backbone interact. energy: -0.141 local terms energy: -623.063997 where: bonds (distance) C4'-P energy: -117.067 bonds (distance) P-C4' energy: -106.836 flat angles C4'-P-C4' energy: -127.967 flat angles P-C4'-P energy: -90.100 tors. eta vs tors. theta energy: -181.094 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: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2252.031567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.031567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.031567 (E_RNA) where: Base-Base interactions energy: -1644.285 where: short stacking energy: -647.341 Base-Backbone interact. energy: -2.690 local terms energy: -605.056833 where: bonds (distance) C4'-P energy: -99.542 bonds (distance) P-C4' energy: -110.584 flat angles C4'-P-C4' energy: -126.641 flat angles P-C4'-P energy: -80.457 tors. eta vs tors. theta energy: -187.833 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: 1 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -2104.161720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.161720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.161720 (E_RNA) where: Base-Base interactions energy: -1520.285 where: short stacking energy: -582.202 Base-Backbone interact. energy: -0.823 local terms energy: -583.053032 where: bonds (distance) C4'-P energy: -117.194 bonds (distance) P-C4' energy: -93.178 flat angles C4'-P-C4' energy: -119.917 flat angles P-C4'-P energy: -75.377 tors. eta vs tors. theta energy: -177.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1912.891763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.891763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.891763 (E_RNA) where: Base-Base interactions energy: -1381.570 where: short stacking energy: -517.883 Base-Backbone interact. energy: -1.853 local terms energy: -529.468702 where: bonds (distance) C4'-P energy: -96.480 bonds (distance) P-C4' energy: -102.405 flat angles C4'-P-C4' energy: -114.185 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: -152.053 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: 491 Temperature: 0.900000 Total energy: -2680.583970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.583970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.583970 (E_RNA) where: Base-Base interactions energy: -1953.118 where: short stacking energy: -762.403 Base-Backbone interact. energy: -1.750 local terms energy: -725.715930 where: bonds (distance) C4'-P energy: -123.650 bonds (distance) P-C4' energy: -128.417 flat angles C4'-P-C4' energy: -145.924 flat angles P-C4'-P energy: -105.558 tors. eta vs tors. theta energy: -222.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2646.359127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.359127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.359127 (E_RNA) where: Base-Base interactions energy: -1938.456 where: short stacking energy: -755.158 Base-Backbone interact. energy: -1.188 local terms energy: -706.714682 where: bonds (distance) C4'-P energy: -117.558 bonds (distance) P-C4' energy: -122.252 flat angles C4'-P-C4' energy: -152.029 flat angles P-C4'-P energy: -100.361 tors. eta vs tors. theta energy: -214.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2575.457796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.457796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.457796 (E_RNA) where: Base-Base interactions energy: -1869.095 where: short stacking energy: -726.006 Base-Backbone interact. energy: -0.841 local terms energy: -705.521337 where: bonds (distance) C4'-P energy: -119.495 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -140.381 flat angles P-C4'-P energy: -102.223 tors. eta vs tors. theta energy: -215.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2538.681557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.681557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.681557 (E_RNA) where: Base-Base interactions energy: -1854.178 where: short stacking energy: -705.388 Base-Backbone interact. energy: 0.024 local terms energy: -684.527268 where: bonds (distance) C4'-P energy: -117.033 bonds (distance) P-C4' energy: -119.634 flat angles C4'-P-C4' energy: -136.869 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -214.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2526.724346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.724346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.724346 (E_RNA) where: Base-Base interactions energy: -1840.557 where: short stacking energy: -719.049 Base-Backbone interact. energy: 1.385 local terms energy: -687.552914 where: bonds (distance) C4'-P energy: -101.465 bonds (distance) P-C4' energy: -112.701 flat angles C4'-P-C4' energy: -146.393 flat angles P-C4'-P energy: -98.554 tors. eta vs tors. theta energy: -228.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2372.777408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.777408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.777408 (E_RNA) where: Base-Base interactions energy: -1721.575 where: short stacking energy: -679.360 Base-Backbone interact. energy: -1.089 local terms energy: -650.113686 where: bonds (distance) C4'-P energy: -106.086 bonds (distance) P-C4' energy: -105.856 flat angles C4'-P-C4' energy: -131.918 flat angles P-C4'-P energy: -94.615 tors. eta vs tors. theta energy: -211.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2237.806606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.806606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.806606 (E_RNA) where: Base-Base interactions energy: -1626.679 where: short stacking energy: -653.313 Base-Backbone interact. energy: 0.877 local terms energy: -612.004092 where: bonds (distance) C4'-P energy: -106.794 bonds (distance) P-C4' energy: -91.718 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -96.058 tors. eta vs tors. theta energy: -186.050 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: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -2250.107878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.107878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.107878 (E_RNA) where: Base-Base interactions energy: -1636.233 where: short stacking energy: -635.516 Base-Backbone interact. energy: -0.564 local terms energy: -613.310690 where: bonds (distance) C4'-P energy: -109.601 bonds (distance) P-C4' energy: -102.812 flat angles C4'-P-C4' energy: -134.288 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -192.898 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: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -2051.761502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.761502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.761502 (E_RNA) where: Base-Base interactions energy: -1462.891 where: short stacking energy: -559.097 Base-Backbone interact. energy: -1.703 local terms energy: -587.167138 where: bonds (distance) C4'-P energy: -92.391 bonds (distance) P-C4' energy: -105.102 flat angles C4'-P-C4' energy: -136.604 flat angles P-C4'-P energy: -86.755 tors. eta vs tors. theta energy: -166.315 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: 491 Temperature: 1.350000 Total energy: -1922.834392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.834392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.834392 (E_RNA) where: Base-Base interactions energy: -1393.295 where: short stacking energy: -531.949 Base-Backbone interact. energy: 2.227 local terms energy: -531.766196 where: bonds (distance) C4'-P energy: -96.838 bonds (distance) P-C4' energy: -96.853 flat angles C4'-P-C4' energy: -118.629 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -148.607 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: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2671.577921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.577921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.577921 (E_RNA) where: Base-Base interactions energy: -1935.758 where: short stacking energy: -749.987 Base-Backbone interact. energy: -0.874 local terms energy: -734.946175 where: bonds (distance) C4'-P energy: -130.454 bonds (distance) P-C4' energy: -123.982 flat angles C4'-P-C4' energy: -146.495 flat angles P-C4'-P energy: -113.012 tors. eta vs tors. theta energy: -221.002 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: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2677.456266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.456266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.456266 (E_RNA) where: Base-Base interactions energy: -1959.728 where: short stacking energy: -754.500 Base-Backbone interact. energy: -0.031 local terms energy: -717.697739 where: bonds (distance) C4'-P energy: -130.102 bonds (distance) P-C4' energy: -112.572 flat angles C4'-P-C4' energy: -153.418 flat angles P-C4'-P energy: -90.328 tors. eta vs tors. theta energy: -231.279 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: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2593.689278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.689278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.689278 (E_RNA) where: Base-Base interactions energy: -1892.229 where: short stacking energy: -725.445 Base-Backbone interact. energy: 0.607 local terms energy: -702.067789 where: bonds (distance) C4'-P energy: -123.279 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -146.691 flat angles P-C4'-P energy: -107.437 tors. eta vs tors. theta energy: -221.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2522.145098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.145098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.145098 (E_RNA) where: Base-Base interactions energy: -1848.591 where: short stacking energy: -721.039 Base-Backbone interact. energy: -1.939 local terms energy: -671.615520 where: bonds (distance) C4'-P energy: -116.865 bonds (distance) P-C4' energy: -100.674 flat angles C4'-P-C4' energy: -141.302 flat angles P-C4'-P energy: -102.778 tors. eta vs tors. theta energy: -209.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2516.473694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.473694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.473694 (E_RNA) where: Base-Base interactions energy: -1849.702 where: short stacking energy: -716.844 Base-Backbone interact. energy: 1.132 local terms energy: -667.904216 where: bonds (distance) C4'-P energy: -104.708 bonds (distance) P-C4' energy: -105.274 flat angles C4'-P-C4' energy: -140.229 flat angles P-C4'-P energy: -106.252 tors. eta vs tors. theta energy: -211.442 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: 5 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2393.021013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.021013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.021013 (E_RNA) where: Base-Base interactions energy: -1737.899 where: short stacking energy: -674.734 Base-Backbone interact. energy: 1.634 local terms energy: -656.756611 where: bonds (distance) C4'-P energy: -108.952 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -133.217 flat angles P-C4'-P energy: -89.154 tors. eta vs tors. theta energy: -210.495 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: 3 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2319.764794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.764794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.764794 (E_RNA) where: Base-Base interactions energy: -1687.486 where: short stacking energy: -663.127 Base-Backbone interact. energy: -0.732 local terms energy: -631.546554 where: bonds (distance) C4'-P energy: -101.107 bonds (distance) P-C4' energy: -124.369 flat angles C4'-P-C4' energy: -132.303 flat angles P-C4'-P energy: -75.496 tors. eta vs tors. theta energy: -198.272 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: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -2231.352872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.352872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.352872 (E_RNA) where: Base-Base interactions energy: -1618.664 where: short stacking energy: -628.674 Base-Backbone interact. energy: -1.135 local terms energy: -611.554396 where: bonds (distance) C4'-P energy: -115.843 bonds (distance) P-C4' energy: -101.852 flat angles C4'-P-C4' energy: -120.412 flat angles P-C4'-P energy: -83.712 tors. eta vs tors. theta energy: -189.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -2036.083106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.083106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.083106 (E_RNA) where: Base-Base interactions energy: -1471.261 where: short stacking energy: -591.945 Base-Backbone interact. energy: 2.200 local terms energy: -567.021840 where: bonds (distance) C4'-P energy: -106.214 bonds (distance) P-C4' energy: -94.171 flat angles C4'-P-C4' energy: -116.098 flat angles P-C4'-P energy: -87.184 tors. eta vs tors. theta energy: -163.354 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: 492 Temperature: 1.350000 Total energy: -1984.019832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.019832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.019832 (E_RNA) where: Base-Base interactions energy: -1441.221 where: short stacking energy: -544.653 Base-Backbone interact. energy: 1.090 local terms energy: -543.889108 where: bonds (distance) C4'-P energy: -99.065 bonds (distance) P-C4' energy: -80.445 flat angles C4'-P-C4' energy: -119.323 flat angles P-C4'-P energy: -82.548 tors. eta vs tors. theta energy: -162.508 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: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2686.037255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.037255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.037255 (E_RNA) where: Base-Base interactions energy: -1968.532 where: short stacking energy: -759.060 Base-Backbone interact. energy: -3.113 local terms energy: -714.392676 where: bonds (distance) C4'-P energy: -114.577 bonds (distance) P-C4' energy: -126.299 flat angles C4'-P-C4' energy: -144.198 flat angles P-C4'-P energy: -102.018 tors. eta vs tors. theta energy: -227.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2642.803294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.803294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.803294 (E_RNA) where: Base-Base interactions energy: -1924.377 where: short stacking energy: -757.700 Base-Backbone interact. energy: -0.719 local terms energy: -717.707126 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -124.890 flat angles C4'-P-C4' energy: -152.917 flat angles P-C4'-P energy: -96.008 tors. eta vs tors. theta energy: -221.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2585.084477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.084477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.084477 (E_RNA) where: Base-Base interactions energy: -1876.571 where: short stacking energy: -728.895 Base-Backbone interact. energy: -2.030 local terms energy: -706.482671 where: bonds (distance) C4'-P energy: -124.938 bonds (distance) P-C4' energy: -129.845 flat angles C4'-P-C4' energy: -140.340 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -219.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2519.933950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.933950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.933950 (E_RNA) where: Base-Base interactions energy: -1838.020 where: short stacking energy: -711.484 Base-Backbone interact. energy: -1.476 local terms energy: -680.437222 where: bonds (distance) C4'-P energy: -110.298 bonds (distance) P-C4' energy: -121.200 flat angles C4'-P-C4' energy: -149.075 flat angles P-C4'-P energy: -96.480 tors. eta vs tors. theta energy: -203.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2495.816545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.816545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.816545 (E_RNA) where: Base-Base interactions energy: -1828.667 where: short stacking energy: -696.135 Base-Backbone interact. energy: 3.617 local terms energy: -670.766434 where: bonds (distance) C4'-P energy: -107.104 bonds (distance) P-C4' energy: -128.311 flat angles C4'-P-C4' energy: -127.894 flat angles P-C4'-P energy: -100.882 tors. eta vs tors. theta energy: -206.576 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: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2359.472642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.472642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.472642 (E_RNA) where: Base-Base interactions energy: -1721.530 where: short stacking energy: -678.246 Base-Backbone interact. energy: 0.189 local terms energy: -638.131450 where: bonds (distance) C4'-P energy: -89.381 bonds (distance) P-C4' energy: -104.748 flat angles C4'-P-C4' energy: -140.241 flat angles P-C4'-P energy: -100.508 tors. eta vs tors. theta energy: -203.254 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: 7, replica: 3 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2334.482771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.482771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.482771 (E_RNA) where: Base-Base interactions energy: -1690.772 where: short stacking energy: -649.087 Base-Backbone interact. energy: 0.991 local terms energy: -644.701311 where: bonds (distance) C4'-P energy: -112.370 bonds (distance) P-C4' energy: -125.515 flat angles C4'-P-C4' energy: -130.707 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -198.087 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: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -2221.061746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.061746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.061746 (E_RNA) where: Base-Base interactions energy: -1604.545 where: short stacking energy: -625.181 Base-Backbone interact. energy: 4.472 local terms energy: -620.988884 where: bonds (distance) C4'-P energy: -109.195 bonds (distance) P-C4' energy: -120.865 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -189.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1971.955463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.955463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.955463 (E_RNA) where: Base-Base interactions energy: -1426.270 where: short stacking energy: -565.497 Base-Backbone interact. energy: -0.668 local terms energy: -545.017614 where: bonds (distance) C4'-P energy: -97.915 bonds (distance) P-C4' energy: -113.753 flat angles C4'-P-C4' energy: -110.549 flat angles P-C4'-P energy: -71.848 tors. eta vs tors. theta energy: -150.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1987.453635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.453635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.453635 (E_RNA) where: Base-Base interactions energy: -1442.387 where: short stacking energy: -562.784 Base-Backbone interact. energy: -0.163 local terms energy: -544.903812 where: bonds (distance) C4'-P energy: -92.323 bonds (distance) P-C4' energy: -109.065 flat angles C4'-P-C4' energy: -117.057 flat angles P-C4'-P energy: -63.729 tors. eta vs tors. theta energy: -162.730 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: 494 Temperature: 0.900000 Total energy: -2695.120788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.120788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.120788 (E_RNA) where: Base-Base interactions energy: -1976.626 where: short stacking energy: -756.609 Base-Backbone interact. energy: -0.959 local terms energy: -717.535104 where: bonds (distance) C4'-P energy: -115.299 bonds (distance) P-C4' energy: -121.473 flat angles C4'-P-C4' energy: -147.633 flat angles P-C4'-P energy: -112.586 tors. eta vs tors. theta energy: -220.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2635.716043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.716043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.716043 (E_RNA) where: Base-Base interactions energy: -1923.685 where: short stacking energy: -753.369 Base-Backbone interact. energy: -1.684 local terms energy: -710.347192 where: bonds (distance) C4'-P energy: -123.655 bonds (distance) P-C4' energy: -114.682 flat angles C4'-P-C4' energy: -139.668 flat angles P-C4'-P energy: -106.053 tors. eta vs tors. theta energy: -226.289 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: 10 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2592.273404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.273404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.273404 (E_RNA) where: Base-Base interactions energy: -1885.010 where: short stacking energy: -742.472 Base-Backbone interact. energy: -1.508 local terms energy: -705.755118 where: bonds (distance) C4'-P energy: -117.342 bonds (distance) P-C4' energy: -114.347 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -110.938 tors. eta vs tors. theta energy: -214.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2523.484117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.484117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.484117 (E_RNA) where: Base-Base interactions energy: -1856.881 where: short stacking energy: -718.463 Base-Backbone interact. energy: -0.390 local terms energy: -666.213026 where: bonds (distance) C4'-P energy: -106.466 bonds (distance) P-C4' energy: -106.080 flat angles C4'-P-C4' energy: -148.080 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -213.076 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: 4 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2504.017874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.017874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.017874 (E_RNA) where: Base-Base interactions energy: -1843.513 where: short stacking energy: -707.363 Base-Backbone interact. energy: -0.423 local terms energy: -660.082164 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -101.091 flat angles C4'-P-C4' energy: -129.331 flat angles P-C4'-P energy: -98.398 tors. eta vs tors. theta energy: -219.326 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: 6, replica: 5 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2365.639696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.639696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.639696 (E_RNA) where: Base-Base interactions energy: -1713.597 where: short stacking energy: -660.978 Base-Backbone interact. energy: -0.115 local terms energy: -651.928045 where: bonds (distance) C4'-P energy: -101.711 bonds (distance) P-C4' energy: -107.600 flat angles C4'-P-C4' energy: -141.496 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -199.368 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: 3 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2341.085915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.085915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.085915 (E_RNA) where: Base-Base interactions energy: -1700.170 where: short stacking energy: -671.293 Base-Backbone interact. energy: -0.690 local terms energy: -640.225844 where: bonds (distance) C4'-P energy: -116.304 bonds (distance) P-C4' energy: -105.651 flat angles C4'-P-C4' energy: -129.397 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -205.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -2166.382179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.382179 (E_RNA) where: Base-Base interactions energy: -1582.863 where: short stacking energy: -625.364 Base-Backbone interact. energy: -0.305 local terms energy: -583.214467 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -91.288 flat angles C4'-P-C4' energy: -131.903 flat angles P-C4'-P energy: -80.400 tors. eta vs tors. theta energy: -184.549 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: 9, replica: 2 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -2025.661356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.661356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.661356 (E_RNA) where: Base-Base interactions energy: -1491.361 where: short stacking energy: -580.751 Base-Backbone interact. energy: 4.156 local terms energy: -538.456733 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -94.707 flat angles C4'-P-C4' energy: -121.294 flat angles P-C4'-P energy: -77.297 tors. eta vs tors. theta energy: -158.900 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: 1 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1965.937968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.937968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.937968 (E_RNA) where: Base-Base interactions energy: -1453.076 where: short stacking energy: -560.776 Base-Backbone interact. energy: 0.601 local terms energy: -513.462318 where: bonds (distance) C4'-P energy: -103.008 bonds (distance) P-C4' energy: -77.162 flat angles C4'-P-C4' energy: -115.219 flat angles P-C4'-P energy: -65.364 tors. eta vs tors. theta energy: -152.710 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: 1, replica: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2691.868750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.868750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.868750 (E_RNA) where: Base-Base interactions energy: -1976.449 where: short stacking energy: -774.176 Base-Backbone interact. energy: -1.160 local terms energy: -714.259959 where: bonds (distance) C4'-P energy: -115.921 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -146.841 flat angles P-C4'-P energy: -108.931 tors. eta vs tors. theta energy: -223.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2613.185649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.185649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.185649 (E_RNA) where: Base-Base interactions energy: -1904.700 where: short stacking energy: -736.854 Base-Backbone interact. energy: -1.475 local terms energy: -707.010904 where: bonds (distance) C4'-P energy: -124.475 bonds (distance) P-C4' energy: -117.803 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -108.917 tors. eta vs tors. theta energy: -216.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2593.326602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.326602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.326602 (E_RNA) where: Base-Base interactions energy: -1890.035 where: short stacking energy: -732.541 Base-Backbone interact. energy: -0.529 local terms energy: -702.762539 where: bonds (distance) C4'-P energy: -111.184 bonds (distance) P-C4' energy: -113.990 flat angles C4'-P-C4' energy: -151.364 flat angles P-C4'-P energy: -103.787 tors. eta vs tors. theta energy: -222.438 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: 4, replica: 4 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2547.266431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.266431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.266431 (E_RNA) where: Base-Base interactions energy: -1855.607 where: short stacking energy: -718.027 Base-Backbone interact. energy: -1.270 local terms energy: -690.389874 where: bonds (distance) C4'-P energy: -115.100 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -147.979 flat angles P-C4'-P energy: -100.881 tors. eta vs tors. theta energy: -214.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2487.397749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.397749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.397749 (E_RNA) where: Base-Base interactions energy: -1793.847 where: short stacking energy: -708.971 Base-Backbone interact. energy: 1.354 local terms energy: -694.904751 where: bonds (distance) C4'-P energy: -121.039 bonds (distance) P-C4' energy: -117.484 flat angles C4'-P-C4' energy: -145.628 flat angles P-C4'-P energy: -101.902 tors. eta vs tors. theta energy: -208.852 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: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2383.826772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.826772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.826772 (E_RNA) where: Base-Base interactions energy: -1761.756 where: short stacking energy: -686.940 Base-Backbone interact. energy: -1.067 local terms energy: -621.003559 where: bonds (distance) C4'-P energy: -88.184 bonds (distance) P-C4' energy: -109.311 flat angles C4'-P-C4' energy: -134.153 flat angles P-C4'-P energy: -87.109 tors. eta vs tors. theta energy: -202.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2337.878134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.878134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.878134 (E_RNA) where: Base-Base interactions energy: -1698.988 where: short stacking energy: -659.026 Base-Backbone interact. energy: 1.222 local terms energy: -640.112619 where: bonds (distance) C4'-P energy: -93.849 bonds (distance) P-C4' energy: -102.853 flat angles C4'-P-C4' energy: -135.863 flat angles P-C4'-P energy: -100.124 tors. eta vs tors. theta energy: -207.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -2231.153784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.153784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.153784 (E_RNA) where: Base-Base interactions energy: -1628.356 where: short stacking energy: -630.842 Base-Backbone interact. energy: 9.779 local terms energy: -612.576654 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -102.649 flat angles C4'-P-C4' energy: -131.358 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: -193.652 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: 2 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -2050.811343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.811343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.811343 (E_RNA) where: Base-Base interactions energy: -1474.187 where: short stacking energy: -564.180 Base-Backbone interact. energy: -0.698 local terms energy: -575.926618 where: bonds (distance) C4'-P energy: -93.036 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -118.294 flat angles P-C4'-P energy: -91.608 tors. eta vs tors. theta energy: -163.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1907.443982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.443982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.443982 (E_RNA) where: Base-Base interactions energy: -1370.995 where: short stacking energy: -532.134 Base-Backbone interact. energy: 3.812 local terms energy: -540.260655 where: bonds (distance) C4'-P energy: -95.442 bonds (distance) P-C4' energy: -98.835 flat angles C4'-P-C4' energy: -125.743 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -155.059 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: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2688.154801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.154801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.154801 (E_RNA) where: Base-Base interactions energy: -1958.009 where: short stacking energy: -759.600 Base-Backbone interact. energy: 1.393 local terms energy: -731.539627 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -125.544 flat angles C4'-P-C4' energy: -142.620 flat angles P-C4'-P energy: -106.102 tors. eta vs tors. theta energy: -223.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2621.311324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.311324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.311324 (E_RNA) where: Base-Base interactions energy: -1914.293 where: short stacking energy: -744.108 Base-Backbone interact. energy: -0.007 local terms energy: -707.011306 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -143.584 flat angles P-C4'-P energy: -106.513 tors. eta vs tors. theta energy: -221.332 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: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2628.116064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.116064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.116064 (E_RNA) where: Base-Base interactions energy: -1922.269 where: short stacking energy: -743.619 Base-Backbone interact. energy: -0.721 local terms energy: -705.125474 where: bonds (distance) C4'-P energy: -120.123 bonds (distance) P-C4' energy: -119.099 flat angles C4'-P-C4' energy: -144.229 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -226.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2550.950296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.950296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.950296 (E_RNA) where: Base-Base interactions energy: -1864.230 where: short stacking energy: -738.117 Base-Backbone interact. energy: 0.412 local terms energy: -687.131952 where: bonds (distance) C4'-P energy: -111.635 bonds (distance) P-C4' energy: -106.340 flat angles C4'-P-C4' energy: -146.412 flat angles P-C4'-P energy: -101.404 tors. eta vs tors. theta energy: -221.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2495.310127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.310127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.310127 (E_RNA) where: Base-Base interactions energy: -1832.962 where: short stacking energy: -714.524 Base-Backbone interact. energy: 2.285 local terms energy: -664.632893 where: bonds (distance) C4'-P energy: -108.472 bonds (distance) P-C4' energy: -117.412 flat angles C4'-P-C4' energy: -134.946 flat angles P-C4'-P energy: -93.524 tors. eta vs tors. theta energy: -210.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2389.468334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.468334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.468334 (E_RNA) where: Base-Base interactions energy: -1733.224 where: short stacking energy: -660.842 Base-Backbone interact. energy: 3.545 local terms energy: -659.789489 where: bonds (distance) C4'-P energy: -115.776 bonds (distance) P-C4' energy: -99.660 flat angles C4'-P-C4' energy: -139.142 flat angles P-C4'-P energy: -101.967 tors. eta vs tors. theta energy: -203.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2321.096562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.096562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.096562 (E_RNA) where: Base-Base interactions energy: -1719.420 where: short stacking energy: -659.654 Base-Backbone interact. energy: -0.340 local terms energy: -601.336448 where: bonds (distance) C4'-P energy: -97.083 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -128.270 flat angles P-C4'-P energy: -93.193 tors. eta vs tors. theta energy: -188.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -2184.919187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.919187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.919187 (E_RNA) where: Base-Base interactions energy: -1602.975 where: short stacking energy: -636.605 Base-Backbone interact. energy: -0.372 local terms energy: -581.572685 where: bonds (distance) C4'-P energy: -77.859 bonds (distance) P-C4' energy: -107.679 flat angles C4'-P-C4' energy: -123.572 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -182.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -2041.337287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.337287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.337287 (E_RNA) where: Base-Base interactions energy: -1460.477 where: short stacking energy: -579.395 Base-Backbone interact. energy: -2.539 local terms energy: -578.321677 where: bonds (distance) C4'-P energy: -105.104 bonds (distance) P-C4' energy: -95.899 flat angles C4'-P-C4' energy: -122.097 flat angles P-C4'-P energy: -79.381 tors. eta vs tors. theta energy: -175.841 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: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1962.153887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.153887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.153887 (E_RNA) where: Base-Base interactions energy: -1422.406 where: short stacking energy: -564.969 Base-Backbone interact. energy: -2.012 local terms energy: -537.736008 where: bonds (distance) C4'-P energy: -89.429 bonds (distance) P-C4' energy: -104.231 flat angles C4'-P-C4' energy: -117.850 flat angles P-C4'-P energy: -62.585 tors. eta vs tors. theta energy: -163.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2690.683788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.683788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.683788 (E_RNA) where: Base-Base interactions energy: -1958.202 where: short stacking energy: -756.056 Base-Backbone interact. energy: 0.901 local terms energy: -733.382353 where: bonds (distance) C4'-P energy: -134.153 bonds (distance) P-C4' energy: -118.837 flat angles C4'-P-C4' energy: -146.517 flat angles P-C4'-P energy: -108.308 tors. eta vs tors. theta energy: -225.567 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: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2663.088859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.088859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.088859 (E_RNA) where: Base-Base interactions energy: -1944.824 where: short stacking energy: -755.906 Base-Backbone interact. energy: -2.174 local terms energy: -716.090222 where: bonds (distance) C4'-P energy: -112.204 bonds (distance) P-C4' energy: -125.341 flat angles C4'-P-C4' energy: -151.033 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -231.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2581.363395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.363395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.363395 (E_RNA) where: Base-Base interactions energy: -1881.530 where: short stacking energy: -735.015 Base-Backbone interact. energy: -0.851 local terms energy: -698.983221 where: bonds (distance) C4'-P energy: -115.059 bonds (distance) P-C4' energy: -123.367 flat angles C4'-P-C4' energy: -149.096 flat angles P-C4'-P energy: -96.991 tors. eta vs tors. theta energy: -214.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2562.256922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.256922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.256922 (E_RNA) where: Base-Base interactions energy: -1879.539 where: short stacking energy: -739.997 Base-Backbone interact. energy: -0.688 local terms energy: -682.029279 where: bonds (distance) C4'-P energy: -97.720 bonds (distance) P-C4' energy: -121.881 flat angles C4'-P-C4' energy: -146.240 flat angles P-C4'-P energy: -98.087 tors. eta vs tors. theta energy: -218.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2515.993019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.993019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.993019 (E_RNA) where: Base-Base interactions energy: -1854.565 where: short stacking energy: -715.358 Base-Backbone interact. energy: 0.265 local terms energy: -661.693072 where: bonds (distance) C4'-P energy: -119.620 bonds (distance) P-C4' energy: -104.157 flat angles C4'-P-C4' energy: -136.729 flat angles P-C4'-P energy: -98.954 tors. eta vs tors. theta energy: -202.233 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: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2375.470225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.470225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.470225 (E_RNA) where: Base-Base interactions energy: -1744.900 where: short stacking energy: -674.188 Base-Backbone interact. energy: -0.617 local terms energy: -629.954040 where: bonds (distance) C4'-P energy: -102.026 bonds (distance) P-C4' energy: -112.976 flat angles C4'-P-C4' energy: -141.759 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -198.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2352.279329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.279329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.279329 (E_RNA) where: Base-Base interactions energy: -1722.057 where: short stacking energy: -671.539 Base-Backbone interact. energy: 4.080 local terms energy: -634.301939 where: bonds (distance) C4'-P energy: -102.698 bonds (distance) P-C4' energy: -105.403 flat angles C4'-P-C4' energy: -146.188 flat angles P-C4'-P energy: -79.786 tors. eta vs tors. theta energy: -200.227 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: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -2249.117568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.117568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.117568 (E_RNA) where: Base-Base interactions energy: -1614.021 where: short stacking energy: -639.090 Base-Backbone interact. energy: -0.669 local terms energy: -634.427425 where: bonds (distance) C4'-P energy: -101.440 bonds (distance) P-C4' energy: -111.604 flat angles C4'-P-C4' energy: -132.622 flat angles P-C4'-P energy: -94.601 tors. eta vs tors. theta energy: -194.160 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: 9, replica: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -2090.438545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.438545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.438545 (E_RNA) where: Base-Base interactions energy: -1514.498 where: short stacking energy: -577.783 Base-Backbone interact. energy: -0.612 local terms energy: -575.328574 where: bonds (distance) C4'-P energy: -107.196 bonds (distance) P-C4' energy: -109.007 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -74.222 tors. eta vs tors. theta energy: -164.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1940.815100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.815100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.815100 (E_RNA) where: Base-Base interactions energy: -1405.738 where: short stacking energy: -550.320 Base-Backbone interact. energy: -1.724 local terms energy: -533.352764 where: bonds (distance) C4'-P energy: -97.850 bonds (distance) P-C4' energy: -96.338 flat angles C4'-P-C4' energy: -102.884 flat angles P-C4'-P energy: -79.083 tors. eta vs tors. theta energy: -157.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2691.394650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.394650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.394650 (E_RNA) where: Base-Base interactions energy: -1966.663 where: short stacking energy: -756.919 Base-Backbone interact. energy: 2.016 local terms energy: -726.747046 where: bonds (distance) C4'-P energy: -108.225 bonds (distance) P-C4' energy: -131.910 flat angles C4'-P-C4' energy: -147.791 flat angles P-C4'-P energy: -112.152 tors. eta vs tors. theta energy: -226.668 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: 8 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2661.187578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.187578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.187578 (E_RNA) where: Base-Base interactions energy: -1945.047 where: short stacking energy: -738.890 Base-Backbone interact. energy: -2.335 local terms energy: -713.805289 where: bonds (distance) C4'-P energy: -122.362 bonds (distance) P-C4' energy: -111.489 flat angles C4'-P-C4' energy: -160.668 flat angles P-C4'-P energy: -99.214 tors. eta vs tors. theta energy: -220.072 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: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2611.740426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.740426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.740426 (E_RNA) where: Base-Base interactions energy: -1904.022 where: short stacking energy: -729.343 Base-Backbone interact. energy: 1.831 local terms energy: -709.550315 where: bonds (distance) C4'-P energy: -128.416 bonds (distance) P-C4' energy: -118.433 flat angles C4'-P-C4' energy: -147.946 flat angles P-C4'-P energy: -99.284 tors. eta vs tors. theta energy: -215.472 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: 4 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2572.895472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.895472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.895472 (E_RNA) where: Base-Base interactions energy: -1897.107 where: short stacking energy: -735.066 Base-Backbone interact. energy: 0.086 local terms energy: -675.874773 where: bonds (distance) C4'-P energy: -97.745 bonds (distance) P-C4' energy: -114.237 flat angles C4'-P-C4' energy: -142.863 flat angles P-C4'-P energy: -98.374 tors. eta vs tors. theta energy: -222.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2427.435567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.435567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.435567 (E_RNA) where: Base-Base interactions energy: -1774.448 where: short stacking energy: -698.388 Base-Backbone interact. energy: -1.644 local terms energy: -651.343531 where: bonds (distance) C4'-P energy: -90.481 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -86.400 tors. eta vs tors. theta energy: -203.604 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: 6, replica: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2498.325095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.325095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.325095 (E_RNA) where: Base-Base interactions energy: -1814.146 where: short stacking energy: -701.092 Base-Backbone interact. energy: -1.430 local terms energy: -682.748640 where: bonds (distance) C4'-P energy: -115.794 bonds (distance) P-C4' energy: -113.580 flat angles C4'-P-C4' energy: -142.318 flat angles P-C4'-P energy: -96.579 tors. eta vs tors. theta energy: -214.476 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: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2334.823455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.823455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.823455 (E_RNA) where: Base-Base interactions energy: -1707.377 where: short stacking energy: -655.873 Base-Backbone interact. energy: -1.391 local terms energy: -626.055488 where: bonds (distance) C4'-P energy: -105.365 bonds (distance) P-C4' energy: -109.030 flat angles C4'-P-C4' energy: -125.874 flat angles P-C4'-P energy: -96.681 tors. eta vs tors. theta energy: -189.105 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: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -2199.426261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.426261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.426261 (E_RNA) where: Base-Base interactions energy: -1607.227 where: short stacking energy: -634.318 Base-Backbone interact. energy: -0.368 local terms energy: -591.831815 where: bonds (distance) C4'-P energy: -109.179 bonds (distance) P-C4' energy: -97.886 flat angles C4'-P-C4' energy: -118.488 flat angles P-C4'-P energy: -87.570 tors. eta vs tors. theta energy: -178.708 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: 1 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -2032.672433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.672433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.672433 (E_RNA) where: Base-Base interactions energy: -1485.010 where: short stacking energy: -579.066 Base-Backbone interact. energy: -1.315 local terms energy: -546.347947 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -99.820 flat angles C4'-P-C4' energy: -120.239 flat angles P-C4'-P energy: -76.083 tors. eta vs tors. theta energy: -156.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1998.850265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.850265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.850265 (E_RNA) where: Base-Base interactions energy: -1445.096 where: short stacking energy: -574.264 Base-Backbone interact. energy: -1.281 local terms energy: -552.473496 where: bonds (distance) C4'-P energy: -98.443 bonds (distance) P-C4' energy: -113.849 flat angles C4'-P-C4' energy: -105.206 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -163.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2708.277217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.277217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.277217 (E_RNA) where: Base-Base interactions energy: -1977.591 where: short stacking energy: -776.183 Base-Backbone interact. energy: -1.070 local terms energy: -729.616301 where: bonds (distance) C4'-P energy: -117.834 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -151.394 flat angles P-C4'-P energy: -102.637 tors. eta vs tors. theta energy: -230.372 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: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2656.602829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.602829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.602829 (E_RNA) where: Base-Base interactions energy: -1933.223 where: short stacking energy: -760.054 Base-Backbone interact. energy: -2.137 local terms energy: -721.243223 where: bonds (distance) C4'-P energy: -121.399 bonds (distance) P-C4' energy: -121.583 flat angles C4'-P-C4' energy: -147.590 flat angles P-C4'-P energy: -106.856 tors. eta vs tors. theta energy: -223.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2607.248338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.248338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.248338 (E_RNA) where: Base-Base interactions energy: -1892.756 where: short stacking energy: -740.638 Base-Backbone interact. energy: -2.000 local terms energy: -712.492606 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -143.060 flat angles P-C4'-P energy: -90.611 tors. eta vs tors. theta energy: -227.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2584.582254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.582254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.582254 (E_RNA) where: Base-Base interactions energy: -1897.202 where: short stacking energy: -725.171 Base-Backbone interact. energy: -1.297 local terms energy: -686.083402 where: bonds (distance) C4'-P energy: -115.968 bonds (distance) P-C4' energy: -104.343 flat angles C4'-P-C4' energy: -140.825 flat angles P-C4'-P energy: -102.650 tors. eta vs tors. theta energy: -222.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2435.739125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.739125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.739125 (E_RNA) where: Base-Base interactions energy: -1785.130 where: short stacking energy: -708.044 Base-Backbone interact. energy: -0.837 local terms energy: -649.771551 where: bonds (distance) C4'-P energy: -103.562 bonds (distance) P-C4' energy: -108.344 flat angles C4'-P-C4' energy: -140.263 flat angles P-C4'-P energy: -82.255 tors. eta vs tors. theta energy: -215.348 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: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2442.308510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.308510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.308510 (E_RNA) where: Base-Base interactions energy: -1791.955 where: short stacking energy: -693.373 Base-Backbone interact. energy: -0.979 local terms energy: -649.374222 where: bonds (distance) C4'-P energy: -109.430 bonds (distance) P-C4' energy: -98.396 flat angles C4'-P-C4' energy: -128.290 flat angles P-C4'-P energy: -99.583 tors. eta vs tors. theta energy: -213.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2352.394597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.394597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.394597 (E_RNA) where: Base-Base interactions energy: -1716.333 where: short stacking energy: -667.990 Base-Backbone interact. energy: -0.673 local terms energy: -635.389021 where: bonds (distance) C4'-P energy: -108.719 bonds (distance) P-C4' energy: -109.422 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -82.986 tors. eta vs tors. theta energy: -197.382 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: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -2192.013005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.013005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.013005 (E_RNA) where: Base-Base interactions energy: -1601.508 where: short stacking energy: -624.243 Base-Backbone interact. energy: -0.245 local terms energy: -590.259532 where: bonds (distance) C4'-P energy: -103.137 bonds (distance) P-C4' energy: -102.958 flat angles C4'-P-C4' energy: -130.786 flat angles P-C4'-P energy: -71.776 tors. eta vs tors. theta energy: -181.603 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: 1 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -2053.963986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.963986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.963986 (E_RNA) where: Base-Base interactions energy: -1488.657 where: short stacking energy: -573.398 Base-Backbone interact. energy: 1.630 local terms energy: -566.937052 where: bonds (distance) C4'-P energy: -84.807 bonds (distance) P-C4' energy: -97.988 flat angles C4'-P-C4' energy: -133.109 flat angles P-C4'-P energy: -80.822 tors. eta vs tors. theta energy: -170.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -1890.170855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.170855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.170855 (E_RNA) where: Base-Base interactions energy: -1364.387 where: short stacking energy: -548.730 Base-Backbone interact. energy: -2.493 local terms energy: -523.290864 where: bonds (distance) C4'-P energy: -83.635 bonds (distance) P-C4' energy: -90.292 flat angles C4'-P-C4' energy: -111.747 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -146.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2701.142997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.142997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.142997 (E_RNA) where: Base-Base interactions energy: -1947.706 where: short stacking energy: -739.067 Base-Backbone interact. energy: 0.152 local terms energy: -753.588305 where: bonds (distance) C4'-P energy: -136.346 bonds (distance) P-C4' energy: -137.687 flat angles C4'-P-C4' energy: -146.817 flat angles P-C4'-P energy: -109.005 tors. eta vs tors. theta energy: -223.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2646.746428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.746428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.746428 (E_RNA) where: Base-Base interactions energy: -1925.689 where: short stacking energy: -743.991 Base-Backbone interact. energy: -2.081 local terms energy: -718.976228 where: bonds (distance) C4'-P energy: -129.159 bonds (distance) P-C4' energy: -124.085 flat angles C4'-P-C4' energy: -149.726 flat angles P-C4'-P energy: -94.460 tors. eta vs tors. theta energy: -221.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2607.336736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.336736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.336736 (E_RNA) where: Base-Base interactions energy: -1911.654 where: short stacking energy: -726.572 Base-Backbone interact. energy: -1.029 local terms energy: -694.653021 where: bonds (distance) C4'-P energy: -118.158 bonds (distance) P-C4' energy: -123.926 flat angles C4'-P-C4' energy: -144.922 flat angles P-C4'-P energy: -91.541 tors. eta vs tors. theta energy: -216.105 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: 10 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2556.876181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.876181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.876181 (E_RNA) where: Base-Base interactions energy: -1859.974 where: short stacking energy: -721.539 Base-Backbone interact. energy: -1.098 local terms energy: -695.804098 where: bonds (distance) C4'-P energy: -125.490 bonds (distance) P-C4' energy: -122.785 flat angles C4'-P-C4' energy: -146.511 flat angles P-C4'-P energy: -95.710 tors. eta vs tors. theta energy: -205.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2510.256453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.256453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.256453 (E_RNA) where: Base-Base interactions energy: -1864.521 where: short stacking energy: -739.436 Base-Backbone interact. energy: -1.192 local terms energy: -644.542895 where: bonds (distance) C4'-P energy: -103.307 bonds (distance) P-C4' energy: -108.262 flat angles C4'-P-C4' energy: -133.692 flat angles P-C4'-P energy: -88.516 tors. eta vs tors. theta energy: -210.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2415.444429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.444429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.444429 (E_RNA) where: Base-Base interactions energy: -1769.154 where: short stacking energy: -694.383 Base-Backbone interact. energy: -2.193 local terms energy: -644.096654 where: bonds (distance) C4'-P energy: -110.848 bonds (distance) P-C4' energy: -106.803 flat angles C4'-P-C4' energy: -136.450 flat angles P-C4'-P energy: -88.148 tors. eta vs tors. theta energy: -201.849 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: 7, replica: 3 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2354.180700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.180700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.180700 (E_RNA) where: Base-Base interactions energy: -1708.922 where: short stacking energy: -663.640 Base-Backbone interact. energy: -0.638 local terms energy: -644.620800 where: bonds (distance) C4'-P energy: -106.535 bonds (distance) P-C4' energy: -113.577 flat angles C4'-P-C4' energy: -135.336 flat angles P-C4'-P energy: -92.277 tors. eta vs tors. theta energy: -196.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -2257.716491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.716491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.716491 (E_RNA) where: Base-Base interactions energy: -1622.699 where: short stacking energy: -648.389 Base-Backbone interact. energy: 3.980 local terms energy: -638.997743 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -105.580 flat angles C4'-P-C4' energy: -124.146 flat angles P-C4'-P energy: -91.840 tors. eta vs tors. theta energy: -203.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -2071.956063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.956063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.956063 (E_RNA) where: Base-Base interactions energy: -1504.226 where: short stacking energy: -585.284 Base-Backbone interact. energy: -0.062 local terms energy: -567.668175 where: bonds (distance) C4'-P energy: -76.163 bonds (distance) P-C4' energy: -100.175 flat angles C4'-P-C4' energy: -126.661 flat angles P-C4'-P energy: -92.908 tors. eta vs tors. theta energy: -171.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -1899.129512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.129512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.129512 (E_RNA) where: Base-Base interactions energy: -1333.693 where: short stacking energy: -515.249 Base-Backbone interact. energy: -1.714 local terms energy: -563.722558 where: bonds (distance) C4'-P energy: -101.084 bonds (distance) P-C4' energy: -115.046 flat angles C4'-P-C4' energy: -120.080 flat angles P-C4'-P energy: -75.745 tors. eta vs tors. theta energy: -151.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2713.274709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.274709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.274709 (E_RNA) where: Base-Base interactions energy: -1976.641 where: short stacking energy: -758.476 Base-Backbone interact. energy: -1.821 local terms energy: -734.813441 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -134.135 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -103.546 tors. eta vs tors. theta energy: -226.254 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: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2624.287537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.287537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.287537 (E_RNA) where: Base-Base interactions energy: -1902.565 where: short stacking energy: -724.635 Base-Backbone interact. energy: 0.053 local terms energy: -721.774582 where: bonds (distance) C4'-P energy: -120.782 bonds (distance) P-C4' energy: -125.054 flat angles C4'-P-C4' energy: -150.537 flat angles P-C4'-P energy: -101.192 tors. eta vs tors. theta energy: -224.210 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: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2587.359897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.359897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.359897 (E_RNA) where: Base-Base interactions energy: -1907.451 where: short stacking energy: -750.813 Base-Backbone interact. energy: 2.037 local terms energy: -681.945474 where: bonds (distance) C4'-P energy: -107.831 bonds (distance) P-C4' energy: -109.286 flat angles C4'-P-C4' energy: -151.641 flat angles P-C4'-P energy: -97.976 tors. eta vs tors. theta energy: -215.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2562.828394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.828394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.828394 (E_RNA) where: Base-Base interactions energy: -1861.722 where: short stacking energy: -728.208 Base-Backbone interact. energy: -1.588 local terms energy: -699.518198 where: bonds (distance) C4'-P energy: -125.651 bonds (distance) P-C4' energy: -111.764 flat angles C4'-P-C4' energy: -145.444 flat angles P-C4'-P energy: -102.707 tors. eta vs tors. theta energy: -213.952 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: 7 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2486.053066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.053066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.053066 (E_RNA) where: Base-Base interactions energy: -1826.418 where: short stacking energy: -716.801 Base-Backbone interact. energy: -0.932 local terms energy: -658.703454 where: bonds (distance) C4'-P energy: -116.596 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -135.556 flat angles P-C4'-P energy: -88.520 tors. eta vs tors. theta energy: -213.160 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: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2403.460307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.460307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.460307 (E_RNA) where: Base-Base interactions energy: -1755.908 where: short stacking energy: -669.675 Base-Backbone interact. energy: -1.228 local terms energy: -646.324906 where: bonds (distance) C4'-P energy: -96.917 bonds (distance) P-C4' energy: -108.750 flat angles C4'-P-C4' energy: -144.204 flat angles P-C4'-P energy: -93.861 tors. eta vs tors. theta energy: -202.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2323.662339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.662339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.662339 (E_RNA) where: Base-Base interactions energy: -1709.608 where: short stacking energy: -667.723 Base-Backbone interact. energy: 0.284 local terms energy: -614.338695 where: bonds (distance) C4'-P energy: -102.164 bonds (distance) P-C4' energy: -112.280 flat angles C4'-P-C4' energy: -130.836 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -188.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -2194.314497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.314497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.314497 (E_RNA) where: Base-Base interactions energy: -1593.674 where: short stacking energy: -621.591 Base-Backbone interact. energy: 5.257 local terms energy: -605.898215 where: bonds (distance) C4'-P energy: -99.326 bonds (distance) P-C4' energy: -113.923 flat angles C4'-P-C4' energy: -133.579 flat angles P-C4'-P energy: -76.759 tors. eta vs tors. theta energy: -182.311 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: 1 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -2027.577903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.577903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.577903 (E_RNA) where: Base-Base interactions energy: -1469.938 where: short stacking energy: -572.771 Base-Backbone interact. energy: -1.371 local terms energy: -556.268964 where: bonds (distance) C4'-P energy: -99.130 bonds (distance) P-C4' energy: -101.939 flat angles C4'-P-C4' energy: -120.531 flat angles P-C4'-P energy: -83.446 tors. eta vs tors. theta energy: -151.224 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: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -1932.495186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.495186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.495186 (E_RNA) where: Base-Base interactions energy: -1375.512 where: short stacking energy: -523.505 Base-Backbone interact. energy: 0.718 local terms energy: -557.701929 where: bonds (distance) C4'-P energy: -103.895 bonds (distance) P-C4' energy: -79.268 flat angles C4'-P-C4' energy: -134.989 flat angles P-C4'-P energy: -76.879 tors. eta vs tors. theta energy: -162.670 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) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 75902637 moves confirmed later: 80914459 all moves confirmed: 156817096 percent of confirmed moves: 19.602137 current total energy: -2627.766005 recalc. total energy: -2627.766005 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 81419826 moves confirmed later: 89005058 all moves confirmed: 170424884 percent of confirmed moves: 21.303110 current total energy: -2511.393928 recalc. total energy: -2511.393928 replica 8 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 78817520 moves confirmed later: 85451079 all moves confirmed: 164268599 percent of confirmed moves: 20.533575 current total energy: -2508.965439 recalc. total energy: -2508.965439 replica 10 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 92859904 moves confirmed later: 104137913 all moves confirmed: 196997817 percent of confirmed moves: 24.624727 current total energy: -2440.204468 recalc. total energy: -2440.204468 replica 7 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 92124873 moves confirmed later: 103198879 all moves confirmed: 195323752 percent of confirmed moves: 24.415469 current total energy: -2388.119038 recalc. total energy: -2388.119038 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 80675264 moves confirmed later: 87563862 all moves confirmed: 168239126 percent of confirmed moves: 21.029891 current total energy: -2335.072420 recalc. total energy: -2335.072420 replica 3 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 86413655 moves confirmed later: 95473575 all moves confirmed: 181887230 percent of confirmed moves: 22.735904 current total energy: -2196.943656 recalc. total energy: -2196.943656 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 92061555 moves confirmed later: 102954881 all moves confirmed: 195016436 percent of confirmed moves: 24.377054 current total energy: -2086.847311 recalc. total energy: -2086.847311 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 115692596 moves confirmed later: 133380950 all moves confirmed: 249073546 percent of confirmed moves: 31.134193 current total energy: -1910.382899 recalc. total energy: -1910.382899 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 96005547 moves confirmed later: 107950345 all moves confirmed: 203955892 percent of confirmed moves: 25.494487 current total energy: -1715.369481 recalc. total energy: -1715.369481 out arg RESULTS//1/100bpRNA-2a6edac6_01 Time of doing 8000000 iterations: 28057.169 seconds